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

C7H14N2O4 — CID 7010578

IUPAC(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-3(7(12)13)9-6(11)5(8)4(2)10/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKeyVPZKQTYZIVOJDV-LMVFSUKVSA-N
MW190.20 g/mol
LogP-1.72
Rot. Bonds4

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

(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid (PubChem CID 7010578) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid
PubChem CID7010578
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-3(7(12)13)9-6(11)5(8)4(2)10/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKeyVPZKQTYZIVOJDV-LMVFSUKVSA-N
XLogP-1.72
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid (CID 7010578) is (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid?
The InChIKey is VPZKQTYZIVOJDV-LMVFSUKVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3(7(12)13)9-6(11)5(8)4(2)10/h3-5,10H,8H2,1-2H3,(H,9,11)(H,12,13)/t3-,4+,5-/m0/s1.
What are the key properties of (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid?
(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoic acid is sourced from PubChem (CID 7010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).