(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane

C5H15N2O4P — CID 13034856

IUPAC(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
SMILESCP(=O)(O)CC[C@H](N)C(=O)O.N
InChIInChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3/t4-;/m0./s1
InChIKeyZBMRKNMTMPPMMK-WCCKRBBISA-N
MW198.16 g/mol
LogP-0.15
Rot. Bonds4

About (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane

(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane (PubChem CID 13034856) has the molecular formula C5H15N2O4P and a molecular weight of 198.16 g/mol. Its IUPAC name is (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane.

Molecular Properties

Compound Name(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
PubChem CID13034856
Molecular FormulaC5H15N2O4P
Molecular Weight198.16 g/mol
Exact Mass198.08
IUPAC Name(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
SMILESCP(=O)(O)CC[C@H](N)C(=O)O.N
InChIInChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3/t4-;/m0./s1
InChIKeyZBMRKNMTMPPMMK-WCCKRBBISA-N
XLogP-0.15
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
(3-amino-5,5-dimethyl-4-oxohexyl)-methylphosphinic acid
CID 155787758
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
(2S)-2-amino-4-[aminomethyl(hydroxy)phosphoryl]butanoic acid;dihydrochloride
CID 11499981
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 167231881
[(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
CID 24794417
2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88946059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane?
The IUPAC name of (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane (CID 13034856) is (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane.
What is the SMILES notation for (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane?
The canonical SMILES for (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane is CP(=O)(O)CC[C@H](N)C(=O)O.N.
What is the InChIKey of (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane?
The InChIKey is ZBMRKNMTMPPMMK-WCCKRBBISA-N. The full InChI is InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane?
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane has a molecular weight of 198.16 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane is sourced from PubChem (CID 13034856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).