2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid

C22H28N2O3 — CID 10155895

IUPAC2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid
SMILESN[C@H](Cc1ccc2ccccc2c1)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C22H28N2O3/c23-19(13-16-8-9-17-6-2-3-7-18(17)12-16)21(27)24-15-22(14-20(25)26)10-4-1-5-11-22/h2-3,6-9,12,19H,1,4-5,10-11,13-15,23H2,(H,24,27)(H,25,26)/t19-/m1/s1
InChIKeyGXJFIJLBIISDMR-LJQANCHMSA-N
MW368.48 g/mol
LogP3.25
Rot. Bonds7

About 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid

2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid (PubChem CID 10155895) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid
PubChem CID10155895
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid
SMILESN[C@H](Cc1ccc2ccccc2c1)C(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C22H28N2O3/c23-19(13-16-8-9-17-6-2-3-7-18(17)12-16)21(27)24-15-22(14-20(25)26)10-4-1-5-11-22/h2-3,6-9,12,19H,1,4-5,10-11,13-15,23H2,(H,24,27)(H,25,26)/t19-/m1/s1
InChIKeyGXJFIJLBIISDMR-LJQANCHMSA-N
XLogP3.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292134
2-[1-[[[(2R)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292811
(3S)-3-amino-4-[[1-(carboxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 90738461
(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(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-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164548
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2S)-2-amino-N-[[1-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]cyclohexyl]methyl]-3-phenylpropanamide
CID 122624856

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid (CID 10155895) is 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid is N[C@H](Cc1ccc2ccccc2c1)C(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid?
The InChIKey is GXJFIJLBIISDMR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N2O3/c23-19(13-16-8-9-17-6-2-3-7-18(17)12-16)21(27)24-15-22(14-20(25)26)10-4-1-5-11-22/h2-3,6-9,12,19H,1,4-5,10-11,13-15,23H2,(H,24,27)(H,25,26)/t19-/m1/s1.
What are the key properties of 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid?
2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid has a molecular weight of 368.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 10155895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).