(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid

C7H14N2O5 — CID 175946093

IUPAC(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
SMILESC[C@H](NO)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H14N2O5/c1-3(9-14)6(11)8-5(4(2)10)7(12)13/h3-5,9-10,14H,1-2H3,(H,8,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKeyPOKKJHYDHDJSBU-LMVFSUKVSA-N
MW206.20 g/mol
LogP-1.70
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid

(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid (PubChem CID 175946093) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
PubChem CID175946093
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
SMILESC[C@H](NO)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C7H14N2O5/c1-3(9-14)6(11)8-5(4(2)10)7(12)13/h3-5,9-10,14H,1-2H3,(H,8,11)(H,12,13)/t3-,4+,5-/m0/s1
InChIKeyPOKKJHYDHDJSBU-LMVFSUKVSA-N
XLogP-1.70
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 11352962
2-(2-ethylbutanoylamino)-3-hydroxybutanoic acid
CID 21201077
(2S,3R)-3-hydroxy-2-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104964594
2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxybutanoic acid
CID 18500620
2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-hydroxybutanoic acid
CID 18300748
2-[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]propanoylamino]-3-methylbutanoic acid
CID 18238948
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 104903192
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 22652412
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 18224109
2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
CID 138543857
2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-sulfanylpropanoyl]amino]propanoylamino]-3-hydroxybutanoic acid
CID 18746709

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid (CID 175946093) is (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid is C[C@H](NO)C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid?
The InChIKey is POKKJHYDHDJSBU-LMVFSUKVSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-3(9-14)6(11)8-5(4(2)10)7(12)13/h3-5,9-10,14H,1-2H3,(H,8,11)(H,12,13)/t3-,4+,5-/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid has a molecular weight of 206.20 g/mol, XLogP of -1.70, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid is sourced from PubChem (CID 175946093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).