2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid

C20H30N2O4 — CID 10292134

IUPAC2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid
SMILESCCOc1ccc(C[C@@H](N)C(=O)NCC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C20H30N2O4/c1-2-26-16-8-6-15(7-9-16)12-17(21)19(25)22-14-20(13-18(23)24)10-4-3-5-11-20/h6-9,17H,2-5,10-14,21H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyFSUODTOOQOOMSU-QGZVFWFLSA-N
MW362.47 g/mol
LogP2.50
Rot. Bonds9

About 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid

2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid (PubChem CID 10292134) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid
PubChem CID10292134
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid
SMILESCCOc1ccc(C[C@@H](N)C(=O)NCC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C20H30N2O4/c1-2-26-16-8-6-15(7-9-16)12-17(21)19(25)22-14-20(13-18(23)24)10-4-3-5-11-20/h6-9,17H,2-5,10-14,21H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyFSUODTOOQOOMSU-QGZVFWFLSA-N
XLogP2.50
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]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-naphthalen-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10155895
(3S)-3-amino-4-[[1-(carboxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 90738461
2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116849927
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
(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-[[[(2R)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292811
(2S)-2-amino-3-(4-iodophenyl)propanoic acid;2-[1-(aminomethyl)cyclohexyl]acetic acid
CID 68535655
(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid (CID 10292134) is 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid is CCOc1ccc(C[C@@H](N)C(=O)NCC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid?
The InChIKey is FSUODTOOQOOMSU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-2-26-16-8-6-15(7-9-16)12-17(21)19(25)22-14-20(13-18(23)24)10-4-3-5-11-20/h6-9,17H,2-5,10-14,21H2,1H3,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid?
2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 10292134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).