(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid

C12H20N2O4 — CID 61172549

IUPAC(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-8(2)11(12(17)18)13-9(15)7-14-6-4-5-10(14)16/h8,11H,3-7H2,1-2H3,(H,13,15)(H,17,18)/t8?,11-/m0/s1
InChIKeyYJSHAXHUZYMDSX-LYNSQETBSA-N
MW256.30 g/mol
LogP0.22
Rot. Bonds6

About (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid

(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 61172549) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID61172549
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)CN1CCCC1=O)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-3-8(2)11(12(17)18)13-9(15)7-14-6-4-5-10(14)16/h8,11H,3-7H2,1-2H3,(H,13,15)(H,17,18)/t8?,11-/m0/s1
InChIKeyYJSHAXHUZYMDSX-LYNSQETBSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[2-(2-oxoazocan-1-yl)acetyl]amino]butanoic acid
CID 119223622
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105353266
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
(2S)-2-[[2-(2-oxoazocan-1-yl)acetyl]amino]hexanoic acid
CID 120614914
3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119212127
3-methyl-2-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]ethyl]sulfanylbutanoic acid
CID 105354154
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 136577101
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
(2S)-2-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanedioic acid
CID 61151877

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid (CID 61172549) is (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid is CCC(C)[C@H](NC(=O)CN1CCCC1=O)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is YJSHAXHUZYMDSX-LYNSQETBSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-8(2)11(12(17)18)13-9(15)7-14-6-4-5-10(14)16/h8,11H,3-7H2,1-2H3,(H,13,15)(H,17,18)/t8?,11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid?
(2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 61172549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).