2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid

C15H22NO4P — CID 18472816

IUPAC2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NP(=O)(O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22NO4P/c17-15(18)14(13-9-5-2-6-10-13)16-21(19,20)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,17,18)(H2,16,19,20)
InChIKeyABNFNHOCZNGSGT-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.17
Rot. Bonds6

About 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid

2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid (PubChem CID 18472816) has the molecular formula C15H22NO4P and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
PubChem CID18472816
Molecular FormulaC15H22NO4P
Molecular Weight311.32 g/mol
Exact Mass311.13
IUPAC Name2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NP(=O)(O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22NO4P/c17-15(18)14(13-9-5-2-6-10-13)16-21(19,20)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,17,18)(H2,16,19,20)
InChIKeyABNFNHOCZNGSGT-UHFFFAOYSA-N
XLogP3.17
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
2-[[hydroxy(oxolan-2-yl)phosphoryl]amino]-2-phenylacetic acid
CID 22617676
(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 140552299
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid
CID 103159342
2-[[hydroxy-[(4-methylphenyl)methyl]phosphoryl]amino]-2-phenylacetic acid
CID 54359445
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
[cyclohexylmethyl(phenyl)phosphoryl]benzene
CID 11120069

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid (CID 18472816) is 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid is O=C(O)C(NP(=O)(O)CC1CCCCC1)c1ccccc1.
What is the InChIKey of 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid?
The InChIKey is ABNFNHOCZNGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO4P/c17-15(18)14(13-9-5-2-6-10-13)16-21(19,20)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid?
2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid has a molecular weight of 311.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid is sourced from PubChem (CID 18472816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).