(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid

C7H14NO3P — CID 89142336

IUPAC(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid
SMILESCCC(C)(N[C@@H](C)C(=O)O)P=O
InChIInChI=1S/C7H14NO3P/c1-4-7(3,12-11)8-5(2)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)/t5-,7?/m0/s1
InChIKeyXQQUGQOVACKYJG-DSEUIKHZSA-N
MW191.17 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid

(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid (PubChem CID 89142336) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid
PubChem CID89142336
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC Name(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid
SMILESCCC(C)(N[C@@H](C)C(=O)O)P=O
InChIInChI=1S/C7H14NO3P/c1-4-7(3,12-11)8-5(2)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)/t5-,7?/m0/s1
InChIKeyXQQUGQOVACKYJG-DSEUIKHZSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylpentan-3-ylamino)propanoic acid
CID 103829131
2-[(1-fluoro-1-hydroxypropyl)amino]propanoic acid
CID 175034912
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]propanoic acid
CID 106185087
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
2-(2,2-diethylhydrazinyl)propanoic acid
CID 175089566
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
(2R)-2-[2-[(1S)-1-carboxyethyl]hydrazinyl]propanoic acid
CID 25136606
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid (CID 89142336) is (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid is CCC(C)(N[C@@H](C)C(=O)O)P=O.
What is the InChIKey of (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid?
The InChIKey is XQQUGQOVACKYJG-DSEUIKHZSA-N. The full InChI is InChI=1S/C7H14NO3P/c1-4-7(3,12-11)8-5(2)6(9)10/h5,8H,4H2,1-3H3,(H,9,10)/t5-,7?/m0/s1.
What are the key properties of (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid?
(2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid has a molecular weight of 191.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-phosphorosobutan-2-ylamino)propanoic acid is sourced from PubChem (CID 89142336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).