(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid

C24H38NO6P — CID 67913321

IUPAC(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESCCC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCCC1CCCCC1)C(=O)OC
InChIInChI=1S/C24H38NO6P/c1-3-22(25-24(27)31-17-20-13-8-5-9-14-20)32(28,29)18-21(23(26)30-2)16-10-15-19-11-6-4-7-12-19/h5,8-9,13-14,19,21-22H,3-4,6-7,10-12,15-18H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyDEDHBSOQYYVWOO-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.46
Rot. Bonds12

About (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid

(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid (PubChem CID 67913321) has the molecular formula C24H38NO6P and a molecular weight of 467.54 g/mol. Its IUPAC name is (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid.

Molecular Properties

Compound Name(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid
PubChem CID67913321
Molecular FormulaC24H38NO6P
Molecular Weight467.54 g/mol
Exact Mass467.24
IUPAC Name(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid
SMILESCCC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCCC1CCCCC1)C(=O)OC
InChIInChI=1S/C24H38NO6P/c1-3-22(25-24(27)31-17-20-13-8-5-9-14-20)32(28,29)18-21(23(26)30-2)16-10-15-19-11-6-4-7-12-19/h5,8-9,13-14,19,21-22H,3-4,6-7,10-12,15-18H2,1-2H3,(H,25,27)(H,28,29)
InChIKeyDEDHBSOQYYVWOO-UHFFFAOYSA-N
XLogP5.46
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-(2-methoxy-2-oxoethyl)phosphinic acid
CID 70426731
2-[[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-hydroxyphosphoryl]acetic acid
CID 70426751
[(2S)-2-benzyl-3-ethoxy-3-oxopropyl]-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 24828441
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
methyl 2-[[methoxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-5-phenylpentanoate
CID 154261371
[3-ethoxy-3-oxo-2-[(4-phenylphenyl)methyl]propyl]-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 18668669
methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 58058033
benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
CID 102392968
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
benzyl N-[(1S)-1-diphenoxyphosphorylbutyl]carbamate
CID 26477193
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The IUPAC name of (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid (CID 67913321) is (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid.
What is the SMILES notation for (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The canonical SMILES for (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid is CCC(NC(=O)OCc1ccccc1)P(=O)(O)CC(CCCC1CCCCC1)C(=O)OC.
What is the InChIKey of (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
The InChIKey is DEDHBSOQYYVWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38NO6P/c1-3-22(25-24(27)31-17-20-13-8-5-9-14-20)32(28,29)18-21(23(26)30-2)16-10-15-19-11-6-4-7-12-19/h5,8-9,13-14,19,21-22H,3-4,6-7,10-12,15-18H2,1-2H3,(H,25,27)(H,28,29).
What are the key properties of (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid?
(5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid has a molecular weight of 467.54 g/mol, XLogP of 5.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-2-methoxycarbonylpentyl)-[1-(phenylmethoxycarbonylamino)propyl]phosphinic acid is sourced from PubChem (CID 67913321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).