2-amino-3-(3-aminobutanoylamino)propanoic acid

C7H15N3O3 — CID 123589303

IUPAC2-amino-3-(3-aminobutanoylamino)propanoic acid
SMILESCC(N)CC(=O)NCC(N)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-4(8)2-6(11)10-3-5(9)7(12)13/h4-5H,2-3,8-9H2,1H3,(H,10,11)(H,12,13)
InChIKeyOBMOKZAAUFIEOX-UHFFFAOYSA-N
MW189.22 g/mol
LogP-1.75
Rot. Bonds5

About 2-amino-3-(3-aminobutanoylamino)propanoic acid

2-amino-3-(3-aminobutanoylamino)propanoic acid (PubChem CID 123589303) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-3-(3-aminobutanoylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-aminobutanoylamino)propanoic acid
PubChem CID123589303
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Name2-amino-3-(3-aminobutanoylamino)propanoic acid
SMILESCC(N)CC(=O)NCC(N)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-4(8)2-6(11)10-3-5(9)7(12)13/h4-5H,2-3,8-9H2,1H3,(H,10,11)(H,12,13)
InChIKeyOBMOKZAAUFIEOX-UHFFFAOYSA-N
XLogP-1.75
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
2-amino-3-(propanoylamino)propanoic acid
CID 59142099
3-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905862
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
CID 87289464
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
CID 24854389
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
3-amino-N-(2-ethylsulfonylethyl)butanamide
CID 103810382
2-amino-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyheptyl]amino]butanoic acid
CID 157157013

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-aminobutanoylamino)propanoic acid?
The IUPAC name of 2-amino-3-(3-aminobutanoylamino)propanoic acid (CID 123589303) is 2-amino-3-(3-aminobutanoylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-aminobutanoylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(3-aminobutanoylamino)propanoic acid is CC(N)CC(=O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3-aminobutanoylamino)propanoic acid?
The InChIKey is OBMOKZAAUFIEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-4(8)2-6(11)10-3-5(9)7(12)13/h4-5H,2-3,8-9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(3-aminobutanoylamino)propanoic acid?
2-amino-3-(3-aminobutanoylamino)propanoic acid has a molecular weight of 189.22 g/mol, XLogP of -1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-aminobutanoylamino)propanoic acid is sourced from PubChem (CID 123589303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).