(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid

C8H17N2O4P — CID 175415338

IUPAC(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid
SMILESCCCC(=O)N[C@@](C)(C(=O)O)P(C)(N)=O
InChIInChI=1S/C8H17N2O4P/c1-4-5-6(11)10-8(2,7(12)13)15(3,9)14/h4-5H2,1-3H3,(H2,9,14)(H,10,11)(H,12,13)/t8-,15?/m1/s1
InChIKeyVMVHVFLCDROWJV-ARAKYBCZSA-N
MW236.21 g/mol
LogP0.57
Rot. Bonds5

About (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid

(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid (PubChem CID 175415338) has the molecular formula C8H17N2O4P and a molecular weight of 236.21 g/mol. Its IUPAC name is (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid
PubChem CID175415338
Molecular FormulaC8H17N2O4P
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid
SMILESCCCC(=O)N[C@@](C)(C(=O)O)P(C)(N)=O
InChIInChI=1S/C8H17N2O4P/c1-4-5-6(11)10-8(2,7(12)13)15(3,9)14/h4-5H2,1-3H3,(H2,9,14)(H,10,11)(H,12,13)/t8-,15?/m1/s1
InChIKeyVMVHVFLCDROWJV-ARAKYBCZSA-N
XLogP0.57
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
CID 61121022
N-(2-ethoxypropan-2-yl)butanamide
CID 90731701
2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
CID 119199520
N-(3,3-dimethylbutyl)butanamide
CID 115580246
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
3-(butanoylamino)-4-methoxy-3-methylbutanoic acid
CID 115910326
2-(methoxycarbonylamino)-2-phosphonopropanoic acid
CID 173280399
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104107
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
2-methyl-2-(pentanoylamino)pentanedioic acid
CID 174482649
2-amino-2-(3-fluoropropanoylamino)butanoic acid
CID 87091630

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid?
The IUPAC name of (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid (CID 175415338) is (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid?
The canonical SMILES for (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid is CCCC(=O)N[C@@](C)(C(=O)O)P(C)(N)=O.
What is the InChIKey of (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid?
The InChIKey is VMVHVFLCDROWJV-ARAKYBCZSA-N. The full InChI is InChI=1S/C8H17N2O4P/c1-4-5-6(11)10-8(2,7(12)13)15(3,9)14/h4-5H2,1-3H3,(H2,9,14)(H,10,11)(H,12,13)/t8-,15?/m1/s1.
What are the key properties of (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid?
(2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid has a molecular weight of 236.21 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[amino(methyl)phosphoryl]-2-(butanoylamino)propanoic acid is sourced from PubChem (CID 175415338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).