cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid

C18H28NO5P — CID 68719250

IUPACcyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESO=C(NCC(O)CP(=O)(O)CC1CCCCC1)OCc1ccccc1
InChIInChI=1S/C18H28NO5P/c20-17(14-25(22,23)13-16-9-5-2-6-10-16)11-19-18(21)24-12-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)(H,22,23)
InChIKeyUMLPBKSMXTYGQD-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.12
Rot. Bonds8

About cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid

cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid (PubChem CID 68719250) has the molecular formula C18H28NO5P and a molecular weight of 369.40 g/mol. Its IUPAC name is cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid.

Molecular Properties

Compound Namecyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
PubChem CID68719250
Molecular FormulaC18H28NO5P
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Namecyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESO=C(NCC(O)CP(=O)(O)CC1CCCCC1)OCc1ccccc1
InChIInChI=1S/C18H28NO5P/c20-17(14-25(22,23)13-16-9-5-2-6-10-16)11-19-18(21)24-12-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)(H,22,23)
InChIKeyUMLPBKSMXTYGQD-UHFFFAOYSA-N
XLogP3.12
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]carbamate
CID 68622142
[(2R)-3-[[(2S)-2-(N-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]anilino)-3-methylbutanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 69249866
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68622018
benzyl N-[1-[[1-[[3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68622019
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
[(2S)-3-[[(2S)-2-[[(2S)-2-anilino-3-methylbutanoyl]amino]propanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid;hydrate
CID 66595520
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride
CID 68622113
(2S)-2-[[(2R)-2-amino-5-[[(2R)-3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 11647743
3-[(1R)-1-[[(2R)-3-[cyclohexylmethyl(hydroxy)phosphoryl]-2-hydroxypropyl]amino]ethyl]benzoic acid
CID 67565926
[(2R)-3-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-2-hydroxypropyl]-(cyclohexylmethyl)phosphinic acid
CID 11661400
2-[[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-hydroxyphosphoryl]acetic acid
CID 70426751

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The IUPAC name of cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid (CID 68719250) is cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid.
What is the SMILES notation for cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The canonical SMILES for cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid is O=C(NCC(O)CP(=O)(O)CC1CCCCC1)OCc1ccccc1.
What is the InChIKey of cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The InChIKey is UMLPBKSMXTYGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28NO5P/c20-17(14-25(22,23)13-16-9-5-2-6-10-16)11-19-18(21)24-12-15-7-3-1-4-8-15/h1,3-4,7-8,16-17,20H,2,5-6,9-14H2,(H,19,21)(H,22,23).
What are the key properties of cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid has a molecular weight of 369.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid is sourced from PubChem (CID 68719250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).