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

C6H13N2O5P — CID 167231881

IUPAC(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCP(=O)(O)CC[C@@H](NC(N)=O)C(=O)O
InChIInChI=1S/C6H13N2O5P/c1-14(12,13)3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H,12,13)(H3,7,8,11)/t4-/m1/s1
InChIKeyNVVIWKGOHBKRBD-SCSAIBSYSA-N
MW224.15 g/mol
LogP-0.60
Rot. Bonds5

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

(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid (PubChem CID 167231881) has the molecular formula C6H13N2O5P and a molecular weight of 224.15 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
PubChem CID167231881
Molecular FormulaC6H13N2O5P
Molecular Weight224.15 g/mol
Exact Mass224.06
IUPAC Name(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
SMILESCP(=O)(O)CC[C@@H](NC(N)=O)C(=O)O
InChIInChI=1S/C6H13N2O5P/c1-14(12,13)3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H,12,13)(H3,7,8,11)/t4-/m1/s1
InChIKeyNVVIWKGOHBKRBD-SCSAIBSYSA-N
XLogP-0.60
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-0.60
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

2-(carboxyamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88946059
2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 4794
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid;azane
CID 13034856
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
2-(carbamoylamino)-4-methylsulfonylbutanoic acid
CID 18073072
3-aminobutyl(methyl)phosphinic acid;2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid
CID 88602394
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
CID 61243847
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The IUPAC name of (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid (CID 167231881) is (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid.
What is the SMILES notation for (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The canonical SMILES for (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid is CP(=O)(O)CC[C@@H](NC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
The InChIKey is NVVIWKGOHBKRBD-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H13N2O5P/c1-14(12,13)3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H,12,13)(H3,7,8,11)/t4-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid?
(2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid has a molecular weight of 224.15 g/mol, XLogP of -0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-4-[hydroxy(methyl)phosphoryl]butanoic acid is sourced from PubChem (CID 167231881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).