3-[[(2R)-2-aminopropanoyl]amino]butanoic acid

C7H14N2O3 — CID 78973363

IUPAC3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)[C@@H](C)N
InChIInChI=1S/C7H14N2O3/c1-4(3-6(10)11)9-7(12)5(2)8/h4-5H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t4?,5-/m1/s1
InChIKeyCGAVXOBQNQPYAD-BRJRFNKRSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds4

About 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid

3-[[(2R)-2-aminopropanoyl]amino]butanoic acid (PubChem CID 78973363) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
PubChem CID78973363
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)[C@@H](C)N
InChIInChI=1S/C7H14N2O3/c1-4(3-6(10)11)9-7(12)5(2)8/h4-5H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t4?,5-/m1/s1
InChIKeyCGAVXOBQNQPYAD-BRJRFNKRSA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
2-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
3-[(3-amino-2-methylpropanoyl)amino]butanoic acid
CID 62670881
3-[(2-amino-3-methylpentanoyl)amino]butanoic acid
CID 61161973
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
2-amino-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 115734652
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
6-[[(2S)-2-aminopropanoyl]amino]hept-3-enoic acid
CID 88625586
2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 100953040

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid?
The IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid (CID 78973363) is 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid?
The canonical SMILES for 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)[C@@H](C)N.
What is the InChIKey of 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid?
The InChIKey is CGAVXOBQNQPYAD-BRJRFNKRSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(3-6(10)11)9-7(12)5(2)8/h4-5H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t4?,5-/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid?
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopropanoyl]amino]butanoic acid is sourced from PubChem (CID 78973363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).