1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane

C27H57N3O5 — CID 143744079

IUPAC1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane
SMILESC.CC(C)C.CC1CC(CO)(NC(=O)C2CCCN2C(=O)CNC=O)C1.CCC.COC(C)(C)C
InChIInChI=1S/C14H23N3O4.C5H12O.C4H10.C3H8.CH4/c1-10-5-14(6-10,8-18)16-13(21)11-3-2-4-17(11)12(20)7-15-9-19;1-5(2,3)6-4;1-4(2)3;1-3-2;/h9-11,18H,2-8H2,1H3,(H,15,19)(H,16,21);1-4H3;4H,1-3H3;3H2,1-2H3;1H4
InChIKeyUDJKWBQCVPSWCU-UHFFFAOYSA-N
MW503.77 g/mol
LogP4.15
Rot. Bonds6

About 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane

1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane (PubChem CID 143744079) has the molecular formula C27H57N3O5 and a molecular weight of 503.77 g/mol. Its IUPAC name is 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane.

Molecular Properties

Compound Name1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane
PubChem CID143744079
Molecular FormulaC27H57N3O5
Molecular Weight503.77 g/mol
Exact Mass503.43
IUPAC Name1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane
SMILESC.CC(C)C.CC1CC(CO)(NC(=O)C2CCCN2C(=O)CNC=O)C1.CCC.COC(C)(C)C
InChIInChI=1S/C14H23N3O4.C5H12O.C4H10.C3H8.CH4/c1-10-5-14(6-10,8-18)16-13(21)11-3-2-4-17(11)12(20)7-15-9-19;1-5(2,3)6-4;1-4(2)3;1-3-2;/h9-11,18H,2-8H2,1H3,(H,15,19)(H,16,21);1-4H3;4H,1-3H3;3H2,1-2H3;1H4
InChIKeyUDJKWBQCVPSWCU-UHFFFAOYSA-N
XLogP4.15
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.77
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid
CID 143356443
acetylene;ethane;formaldehyde;hept-1-ene;N-[2-[2-[(1S)-1-methoxyethyl]pyrrolidin-1-yl]-2-oxoethyl]formamide;2-methoxy-2-methylpropane
CID 143895757
cyclohexane;methane;1-[2-(methoxyamino)acetyl]pyrrolidine-2-carboxylic acid;propane
CID 143581071
tert-butyl N-[2-[2-[(1-carbamoyl-2-ethenylcyclopropyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 123250101
(2S,3S)-2-[[(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 67058654
propan-2-yl N-[2-[(2S)-2-(1,2-dioxohexan-3-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 143350762
methyl (2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoate
CID 22214008
acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane
CID 143443513
(2S)-1-[2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 51056037
tert-butyl N-[2-[(2S)-2-[[(2S)-1-(2-methylhydrazinyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 11810805
2-[[1-[2-(2,2-dimethylpropoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]butanoic acid
CID 143688961

Frequently Asked Questions

What is the IUPAC name of 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane?
The IUPAC name of 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane (CID 143744079) is 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane.
What is the SMILES notation for 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane?
The canonical SMILES for 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane is C.CC(C)C.CC1CC(CO)(NC(=O)C2CCCN2C(=O)CNC=O)C1.CCC.COC(C)(C)C.
What is the InChIKey of 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane?
The InChIKey is UDJKWBQCVPSWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4.C5H12O.C4H10.C3H8.CH4/c1-10-5-14(6-10,8-18)16-13(21)11-3-2-4-17(11)12(20)7-15-9-19;1-5(2,3)6-4;1-4(2)3;1-3-2;/h9-11,18H,2-8H2,1H3,(H,15,19)(H,16,21);1-4H3;4H,1-3H3;3H2,1-2H3;1H4.
What are the key properties of 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane?
1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane has a molecular weight of 503.77 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formamidoacetyl)-N-[1-(hydroxymethyl)-3-methylcyclobutyl]pyrrolidine-2-carboxamide;methane;2-methoxy-2-methylpropane;2-methylpropane;propane is sourced from PubChem (CID 143744079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).