[2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid

C22H31N2O3P — CID 21364418

IUPAC[2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid
SMILESCNC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)CN
InChIInChI=1S/C22H31N2O3P/c1-24-22(15-19-11-6-3-7-12-19)28(26,27)17-20(21(25)16-23)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,20,22,24H,8,13-17,23H2,1H3,(H,26,27)
InChIKeyLWGFQBUYZVNDQK-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.21
Rot. Bonds12

About [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid

[2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid (PubChem CID 21364418) has the molecular formula C22H31N2O3P and a molecular weight of 402.48 g/mol. Its IUPAC name is [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid.

Molecular Properties

Compound Name[2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid
PubChem CID21364418
Molecular FormulaC22H31N2O3P
Molecular Weight402.48 g/mol
Exact Mass402.21
IUPAC Name[2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid
SMILESCNC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)CN
InChIInChI=1S/C22H31N2O3P/c1-24-22(15-19-11-6-3-7-12-19)28(26,27)17-20(21(25)16-23)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,20,22,24H,8,13-17,23H2,1H3,(H,26,27)
InChIKeyLWGFQBUYZVNDQK-UHFFFAOYSA-N
XLogP3.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.21
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

(2R)-2-[[(1-acetamido-2-phenylethyl)-hydroxyphosphoryl]methyl]-3-phenylpropanoic acid
CID 11406618
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
(2S)-2-[[4-(aminomethyl)phenyl]methyl]-3-[[(1R)-1-amino-3-phenylpropyl]-hydroxyphosphoryl]propanoic acid
CID 78333422
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
2-[(4-bromophenyl)methyl]-3-[hydroxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]propanoic acid
CID 70147295
[(2S)-2-benzyl-3-ethoxy-3-oxopropyl]-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 24828441
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
4-bromo-2,2-dimethyl-7-phenylheptan-3-one
CID 13371234
4-amino-2-benzylbutanoic acid
CID 16679765
2-[[(1-amino-3-phenylpropyl)-hydroxyphosphoryl]methyl]-3-(3,5-dimethylphenyl)propanoic acid
CID 118720636
[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-phenylpentyl]-[1-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-phenylethyl]phosphinic acid
CID 100980312
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid?
The IUPAC name of [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid (CID 21364418) is [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid.
What is the SMILES notation for [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid?
The canonical SMILES for [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid is CNC(Cc1ccccc1)P(=O)(O)CC(CCCc1ccccc1)C(=O)CN.
What is the InChIKey of [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid?
The InChIKey is LWGFQBUYZVNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N2O3P/c1-24-22(15-19-11-6-3-7-12-19)28(26,27)17-20(21(25)16-23)14-8-13-18-9-4-2-5-10-18/h2-7,9-12,20,22,24H,8,13-17,23H2,1H3,(H,26,27).
What are the key properties of [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid?
[2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid has a molecular weight of 402.48 g/mol, XLogP of 3.21, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoacetyl)-5-phenylpentyl]-[1-(methylamino)-2-phenylethyl]phosphinic acid is sourced from PubChem (CID 21364418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).