1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C13H22N2O4 — CID 66170080

IUPAC1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C13H22N2O4/c1-13(19,8-16)7-14-12(18)10-4-11(17)15(6-10)5-9-2-3-9/h9-10,16,19H,2-8H2,1H3,(H,14,18)
InChIKeyDTEOZPNDDJEGPF-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.90
Rot. Bonds6

About 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 66170080) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID66170080
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C13H22N2O4/c1-13(19,8-16)7-14-12(18)10-4-11(17)15(6-10)5-9-2-3-9/h9-10,16,19H,2-8H2,1H3,(H,14,18)
InChIKeyDTEOZPNDDJEGPF-UHFFFAOYSA-N
XLogP-0.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 104630050
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103840212
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
N-(2-hydroxy-2-methylpentyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103713275
1-(cyclopropylmethyl)-N-(2-hydroxy-4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 103771016
1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690445
3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81063469
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 66170080) is 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(O)(CO)CNC(=O)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DTEOZPNDDJEGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(19,8-16)7-14-12(18)10-4-11(17)15(6-10)5-9-2-3-9/h9-10,16,19H,2-8H2,1H3,(H,14,18).
What are the key properties of 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 66170080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).