1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide

C14H24N2O4 — CID 104630050

IUPAC1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-14(8-17,9-18)15-13(20)11-5-12(19)16(7-11)6-10-3-4-10/h10-11,17-18H,2-9H2,1H3,(H,15,20)
InChIKeyZWAHNMHMJGHIFC-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.51
Rot. Bonds7

About 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 104630050) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID104630050
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-14(8-17,9-18)15-13(20)11-5-12(19)16(7-11)6-10-3-4-10/h10-11,17-18H,2-9H2,1H3,(H,15,20)
InChIKeyZWAHNMHMJGHIFC-UHFFFAOYSA-N
XLogP-0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66170080
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550
4-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexane-1-carboxamide
CID 107865545
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
1-(cyclopropylmethyl)-N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 47423411
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568769
3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81063469
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 104630050) is 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide is CCC(CO)(CO)NC(=O)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZWAHNMHMJGHIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-14(8-17,9-18)15-13(20)11-5-12(19)16(7-11)6-10-3-4-10/h10-11,17-18H,2-9H2,1H3,(H,15,20).
What are the key properties of 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 104630050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).