2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C15H26N2O3 — CID 70337796

IUPAC2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN(C(=O)[C@@H](N)C1CCC(CC(=O)O)CC1)C1CCC1
InChIInChI=1S/C15H26N2O3/c1-17(12-3-2-4-12)15(20)14(16)11-7-5-10(6-8-11)9-13(18)19/h10-12,14H,2-9,16H2,1H3,(H,18,19)/t10?,11?,14-/m0/s1
InChIKeyADIYQTFVEOEXLH-MGULZYLOSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 70337796) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID70337796
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCN(C(=O)[C@@H](N)C1CCC(CC(=O)O)CC1)C1CCC1
InChIInChI=1S/C15H26N2O3/c1-17(12-3-2-4-12)15(20)14(16)11-7-5-10(6-8-11)9-13(18)19/h10-12,14H,2-9,16H2,1H3,(H,18,19)/t10?,11?,14-/m0/s1
InChIKeyADIYQTFVEOEXLH-MGULZYLOSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 70337796) is 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CN(C(=O)[C@@H](N)C1CCC(CC(=O)O)CC1)C1CCC1.
What is the InChIKey of 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is ADIYQTFVEOEXLH-MGULZYLOSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17(12-3-2-4-12)15(20)14(16)11-7-5-10(6-8-11)9-13(18)19/h10-12,14H,2-9,16H2,1H3,(H,18,19)/t10?,11?,14-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 70337796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).