2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid

C6H12NO6P — CID 88946059

IUPAC2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCP(=O)(O)CCC(NC(=O)O)C(=O)O
InChIInChI=1S/C6H12NO6P/c1-14(12,13)3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChIKeyKNTRFGJKZLSHLH-UHFFFAOYSA-N
MW225.14 g/mol
LogP-0.00
Rot. Bonds5

About 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid

2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid (PubChem CID 88946059) has the molecular formula C6H12NO6P and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
PubChem CID88946059
Molecular FormulaC6H12NO6P
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCP(=O)(O)CCC(NC(=O)O)C(=O)O
InChIInChI=1S/C6H12NO6P/c1-14(12,13)3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChIKeyKNTRFGJKZLSHLH-UHFFFAOYSA-N
XLogP-0.00
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 167231881
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
sodium;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;hydride
CID 173033369
(2S)-2-(carboxyamino)-4-methylsulfanylbutanoic acid;zinc
CID 174928260
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(4S)-4-(carboxyamino)-5-hydroxy-5-oxopentanoate
CID 102516015
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
2,6-bis(carboxyamino)hexanoic acid
CID 23574348
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane;2-(phosphonomethylamino)acetic acid
CID 173131478
2-[(2,3,4,5,6-pentamethylbenzoyl)amino]pentanoic acid
CID 43630457
2-[3-[hydroxy(methyl)phosphoryl]propyl]hexanedioic acid
CID 87930790
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220

Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The IUPAC name of 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid (CID 88946059) is 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid.
What is the SMILES notation for 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The canonical SMILES for 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid is CP(=O)(O)CCC(NC(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The InChIKey is KNTRFGJKZLSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P/c1-14(12,13)3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid has a molecular weight of 225.14 g/mol, XLogP of -0.00, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid is sourced from PubChem (CID 88946059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).