3-(2-aminopropanoylamino)propanoic acid

C6H12N2O3 — CID 4670733

IUPAC3-(2-aminopropanoylamino)propanoic acid
SMILESCC(N)C(=O)NCCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)
InChIKeyLHMWTJPMNYKPGC-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.08
Rot. Bonds4

About 3-(2-aminopropanoylamino)propanoic acid

3-(2-aminopropanoylamino)propanoic acid (PubChem CID 4670733) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)propanoic acid
PubChem CID4670733
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-(2-aminopropanoylamino)propanoic acid
SMILESCC(N)C(=O)NCCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10)
InChIKeyLHMWTJPMNYKPGC-UHFFFAOYSA-N
XLogP-1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
alpha-Amino-beta-methylaminopropionic acid
CID 28558
Oxalyldiaminopropionic acid
CID 2360
Ala-Gly
CID 6998029
beta-(N-Methylamino)-L-alanine
CID 105089
N-Acetyl-beta-alanine
CID 76406
Ala-Ala-Ala
CID 5478845
N-Glycylalanine
CID 98153
Albizziin
CID 92891
Glycyl-L-alanine
CID 1551643
D,L-Alanylglycylglycine
CID 136714

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoylamino)propanoic acid?
The IUPAC name of 3-(2-aminopropanoylamino)propanoic acid (CID 4670733) is 3-(2-aminopropanoylamino)propanoic acid.
What is the SMILES notation for 3-(2-aminopropanoylamino)propanoic acid?
The canonical SMILES for 3-(2-aminopropanoylamino)propanoic acid is CC(N)C(=O)NCCC(=O)O.
What is the InChIKey of 3-(2-aminopropanoylamino)propanoic acid?
The InChIKey is LHMWTJPMNYKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(7)6(11)8-3-2-5(9)10/h4H,2-3,7H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 3-(2-aminopropanoylamino)propanoic acid?
3-(2-aminopropanoylamino)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)propanoic acid is sourced from PubChem (CID 4670733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).