2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid

C18H26N2O3 — CID 11507997

IUPAC2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
SMILESNC(Cc1ccccc1)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C18H26N2O3/c19-15(11-14-7-3-1-4-8-14)17(23)20-13-18(12-16(21)22)9-5-2-6-10-18/h1,3-4,7-8,15H,2,5-6,9-13,19H2,(H,20,23)(H,21,22)
InChIKeyIOLWOEDXQUQDOH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds7

About 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 11507997) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID11507997
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
SMILESNC(Cc1ccccc1)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C18H26N2O3/c19-15(11-14-7-3-1-4-8-14)17(23)20-13-18(12-16(21)22)9-5-2-6-10-18/h1,3-4,7-8,15H,2,5-6,9-13,19H2,(H,20,23)(H,21,22)
InChIKeyIOLWOEDXQUQDOH-UHFFFAOYSA-N
XLogP2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10155895
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292134
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
2-[1-[[[(2R)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292811
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(3S)-3-amino-4-[[1-(carboxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 90738461
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid (CID 11507997) is 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid is NC(Cc1ccccc1)C(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is IOLWOEDXQUQDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-15(11-14-7-3-1-4-8-14)17(23)20-13-18(12-16(21)22)9-5-2-6-10-18/h1,3-4,7-8,15H,2,5-6,9-13,19H2,(H,20,23)(H,21,22).
What are the key properties of 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 318.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 11507997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).