(3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid

C5H12NO3P — CID 174996268

IUPAC(3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid
SMILESCP(O)C[C@@H](N)CC(=O)O
InChIInChI=1S/C5H12NO3P/c1-10(9)3-4(6)2-5(7)8/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
InChIKeyLYVGONCLOURWQJ-YGVKFDHGSA-N
MW165.13 g/mol
LogP-0.19
Rot. Bonds4

About (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid

(3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid (PubChem CID 174996268) has the molecular formula C5H12NO3P and a molecular weight of 165.13 g/mol. Its IUPAC name is (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid
PubChem CID174996268
Molecular FormulaC5H12NO3P
Molecular Weight165.13 g/mol
Exact Mass165.06
IUPAC Name(3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid
SMILESCP(O)C[C@@H](N)CC(=O)O
InChIInChI=1S/C5H12NO3P/c1-10(9)3-4(6)2-5(7)8/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
InChIKeyLYVGONCLOURWQJ-YGVKFDHGSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;3,4-diaminobutanoic acid
CID 173099381
3-amino-12-hydroxydodecanoic acid
CID 146253643
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
3-aminononanoic acid
CID 2832746
(3R)-3-amino-5-methylselanylpentanoic acid
CID 122173769
(3S)-3-amino-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 138040133
3,6-diamino-5-hydroxyheptanoic acid
CID 22042009
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
azane;3,5-diaminopentanoic acid
CID 173202896
3-amino-4-[methyl(propan-2-yl)amino]butanoic acid
CID 115241535
3-amino-5-ethyl-5-methylheptanoic acid
CID 174222346
3-aminohex-5-enoic acid
CID 22142027

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid?
The IUPAC name of (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid (CID 174996268) is (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid?
The canonical SMILES for (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid is CP(O)C[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid?
The InChIKey is LYVGONCLOURWQJ-YGVKFDHGSA-N. The full InChI is InChI=1S/C5H12NO3P/c1-10(9)3-4(6)2-5(7)8/h4,9H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1.
What are the key properties of (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid?
(3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid has a molecular weight of 165.13 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[hydroxy(methyl)phosphanyl]butanoic acid is sourced from PubChem (CID 174996268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).