3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid

C15H24N2O4 — CID 81063469

IUPAC3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C1CC(=O)N(CC2CC2)C1)CC(=O)O
InChIInChI=1S/C15H24N2O4/c1-2-10(5-14(19)20)7-16-15(21)12-6-13(18)17(9-12)8-11-3-4-11/h10-12H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyZIRKNARKLLVBMT-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.86
Rot. Bonds8

About 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid

3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid (PubChem CID 81063469) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
PubChem CID81063469
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C1CC(=O)N(CC2CC2)C1)CC(=O)O
InChIInChI=1S/C15H24N2O4/c1-2-10(5-14(19)20)7-16-15(21)12-6-13(18)17(9-12)8-11-3-4-11/h10-12H,2-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyZIRKNARKLLVBMT-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81064929
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550
1-(cyclopropylmethyl)-N-(2-hydroxy-4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 103771016
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66170080
1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 104630050
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 100901057

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid (CID 81063469) is 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid is CCC(CNC(=O)C1CC(=O)N(CC2CC2)C1)CC(=O)O.
What is the InChIKey of 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is ZIRKNARKLLVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-10(5-14(19)20)7-16-15(21)12-6-13(18)17(9-12)8-11-3-4-11/h10-12H,2-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81063469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).