2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid

C15H27NO2 — CID 122100553

IUPAC2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid
SMILESCC1CCCC(CCN(C2CC2)C(C)C(=O)O)C1
InChIInChI=1S/C15H27NO2/c1-11-4-3-5-13(10-11)8-9-16(14-6-7-14)12(2)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyZVXONZRIVVLURA-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.14
Rot. Bonds6

About 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid

2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid (PubChem CID 122100553) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid
PubChem CID122100553
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid
SMILESCC1CCCC(CCN(C2CC2)C(C)C(=O)O)C1
InChIInChI=1S/C15H27NO2/c1-11-4-3-5-13(10-11)8-9-16(14-6-7-14)12(2)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18)
InChIKeyZVXONZRIVVLURA-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
CID 122082922
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012
2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
CID 119924723
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083126
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
2-[[2-cyclobutylethyl(methyl)amino]methyl]-3-methylbutanoic acid
CID 115250462
3-methyl-2-[N-[(3-methylcyclohexyl)methyl]anilino]butanoic acid
CID 175398959
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
3-methyl-1-(3-methylcyclohexyl)butan-2-one;propane
CID 170590259
2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 122083036
5-(3-methylcyclohexyl)-2-methylidenepentanoic acid
CID 90354978

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid (CID 122100553) is 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid is CC1CCCC(CCN(C2CC2)C(C)C(=O)O)C1.
What is the InChIKey of 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid?
The InChIKey is ZVXONZRIVVLURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-4-3-5-13(10-11)8-9-16(14-6-7-14)12(2)15(17)18/h11-14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid?
2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3-methylcyclohexyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 122100553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).