2-(1-carboxypropylamino)butanoic acid

C8H15NO4 — CID 23371094

IUPAC2-(1-carboxypropylamino)butanoic acid
SMILESCCC(NC(CC)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-5(7(10)11)9-6(4-2)8(12)13/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQRUWNLWDXIBBCK-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.30
Rot. Bonds6

About 2-(1-carboxypropylamino)butanoic acid

2-(1-carboxypropylamino)butanoic acid (PubChem CID 23371094) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(1-carboxypropylamino)butanoic acid.

Molecular Properties

Compound Name2-(1-carboxypropylamino)butanoic acid
PubChem CID23371094
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(1-carboxypropylamino)butanoic acid
SMILESCCC(NC(CC)C(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-5(7(10)11)9-6(4-2)8(12)13/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQRUWNLWDXIBBCK-UHFFFAOYSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Nmda
CID 22880
N-Methyl-L-Alanine
CID 5288725
N-Methylaspartic acid
CID 4376
Alanopine
CID 439943
(2R)-2-(methylamino)propanoic acid
CID 92973
N-Methyl-L-valine
CID 444080
2-(Acetylamino)butanoic acid
CID 306107
N-Methyl-DL-Alanine
CID 4377
N-(Carboxymethyl)-D-alanine
CID 5462254
N-Methyl-L-aspartic acid
CID 92982
N-(2-((1-Carboxyethyl)amino)ethyl)alanine
CID 414433
N-Methylvaline
CID 4378

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxypropylamino)butanoic acid?
The IUPAC name of 2-(1-carboxypropylamino)butanoic acid (CID 23371094) is 2-(1-carboxypropylamino)butanoic acid.
What is the SMILES notation for 2-(1-carboxypropylamino)butanoic acid?
The canonical SMILES for 2-(1-carboxypropylamino)butanoic acid is CCC(NC(CC)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-carboxypropylamino)butanoic acid?
The InChIKey is QRUWNLWDXIBBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-5(7(10)11)9-6(4-2)8(12)13/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(1-carboxypropylamino)butanoic acid?
2-(1-carboxypropylamino)butanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxypropylamino)butanoic acid is sourced from PubChem (CID 23371094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).