2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid

C8H14N2O3 — CID 106184659

IUPAC2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
SMILESCCC(NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-6(8(12)13)10-5-3-7(11)9-4-5/h5-6,10H,2-4H2,1H3,(H,9,11)(H,12,13)
InChIKeyOQJWCUIOWMYXLO-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.67
Rot. Bonds4

About 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid

2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid (PubChem CID 106184659) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
PubChem CID106184659
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid
SMILESCCC(NC1CNC(=O)C1)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-6(8(12)13)10-5-3-7(11)9-4-5/h5-6,10H,2-4H2,1H3,(H,9,11)(H,12,13)
InChIKeyOQJWCUIOWMYXLO-UHFFFAOYSA-N
XLogP-0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
2-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)amino]acetic acid
CID 106190605
N,N-diethyl-2-[(5-oxopyrrolidin-3-yl)amino]propanamide
CID 106188940
2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 106189208
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
2-(cyclopentylamino)butanoic acid
CID 60998249
4-(3-hydroxybutan-2-ylamino)pyrrolidin-2-one
CID 106189044
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
CID 63662471
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid?
The IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid (CID 106184659) is 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid?
The canonical SMILES for 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid is CCC(NC1CNC(=O)C1)C(=O)O.
What is the InChIKey of 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid?
The InChIKey is OQJWCUIOWMYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6(8(12)13)10-5-3-7(11)9-4-5/h5-6,10H,2-4H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid?
2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 106184659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).