2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid

C8H14N2O3 — CID 105442035

IUPAC2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid
SMILESNC(CC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C8H14N2O3/c9-6(8(12)13)3-7(11)5-1-2-10-4-5/h5-6,10H,1-4,9H2,(H,12,13)
InChIKeyYNSZOMRAYRCDAH-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.03
Rot. Bonds4

About 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid

2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid (PubChem CID 105442035) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid
PubChem CID105442035
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid
SMILESNC(CC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C8H14N2O3/c9-6(8(12)13)3-7(11)5-1-2-10-4-5/h5-6,10H,1-4,9H2,(H,12,13)
InChIKeyYNSZOMRAYRCDAH-UHFFFAOYSA-N
XLogP-1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
2-amino-4-oxo-4-(thiolan-3-yl)butanoic acid
CID 105455491
3-methyl-1-[(3S)-pyrrolidin-3-yl]but-3-en-1-one
CID 165462735
3-methyl-1-pyrrolidin-3-ylbut-3-en-1-one
CID 116568395
2-amino-5-(pyrrolidin-3-ylamino)pentanoic acid
CID 90742883
(2S)-2-hydroxy-3-(pyrrolidine-3-carbonylamino)propanoic acid
CID 107835954
(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid
CID 146145442
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
4-methyl-3-pyrrolidin-3-ylpentanoic acid
CID 82406112
3-methylidene-1-pyrrolidin-3-ylpentan-1-one
CID 116568451

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid?
The IUPAC name of 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid (CID 105442035) is 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid?
The canonical SMILES for 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid is NC(CC(=O)C1CCNC1)C(=O)O.
What is the InChIKey of 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid?
The InChIKey is YNSZOMRAYRCDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-6(8(12)13)3-7(11)5-1-2-10-4-5/h5-6,10H,1-4,9H2,(H,12,13).
What are the key properties of 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid?
2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid has a molecular weight of 186.21 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-4-pyrrolidin-3-ylbutanoic acid is sourced from PubChem (CID 105442035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).