3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid

C15H26N2O4 — CID 81064929

IUPAC3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C1CC(=O)N(CC(C)C)C1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-11(5-14(19)20)7-16-15(21)12-6-13(18)17(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyKLFXFEXQEORZIE-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.11
Rot. Bonds8

About 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid

3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid (PubChem CID 81064929) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
PubChem CID81064929
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)C1CC(=O)N(CC(C)C)C1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-4-11(5-14(19)20)7-16-15(21)12-6-13(18)17(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyKLFXFEXQEORZIE-UHFFFAOYSA-N
XLogP1.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81063469
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
1-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369448
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
N-(2-hydroxy-2-methylpentyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103713275
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid (CID 81064929) is 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid is CCC(CNC(=O)C1CC(=O)N(CC(C)C)C1)CC(=O)O.
What is the InChIKey of 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is KLFXFEXQEORZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-11(5-14(19)20)7-16-15(21)12-6-13(18)17(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid?
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81064929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).