(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid

C7H15N3O4 — CID 155095224

IUPAC(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
SMILESCC(O)C(N)C(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O4/c1-3(11)5(9)6(12)10-2-4(8)7(13)14/h3-5,11H,2,8-9H2,1H3,(H,10,12)(H,13,14)/t3?,4-,5?/m0/s1
InChIKeyNWQFNEWWLOAWAB-QHWRUIEBSA-N
MW205.21 g/mol
LogP-2.78
Rot. Bonds5

About (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid

(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid (PubChem CID 155095224) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
PubChem CID155095224
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
SMILESCC(O)C(N)C(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C7H15N3O4/c1-3(11)5(9)6(12)10-2-4(8)7(13)14/h3-5,11H,2,8-9H2,1H3,(H,10,12)(H,13,14)/t3?,4-,5?/m0/s1
InChIKeyNWQFNEWWLOAWAB-QHWRUIEBSA-N
XLogP-2.78
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
2-amino-3-(1-hydroxyethylamino)propanoic acid
CID 130791522
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
2-amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 162915431
2-amino-3-(propanoylamino)propanoic acid
CID 59142099
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 18224326
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid (CID 155095224) is (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid is CC(O)C(N)C(=O)NC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid?
The InChIKey is NWQFNEWWLOAWAB-QHWRUIEBSA-N. The full InChI is InChI=1S/C7H15N3O4/c1-3(11)5(9)6(12)10-2-4(8)7(13)14/h3-5,11H,2,8-9H2,1H3,(H,10,12)(H,13,14)/t3?,4-,5?/m0/s1.
What are the key properties of (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid?
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid has a molecular weight of 205.21 g/mol, XLogP of -2.78, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid is sourced from PubChem (CID 155095224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).