2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid

C14H25NO2 — CID 64728458

IUPAC2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
SMILESCC1CC(C)CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-5-11(2)7-13(6-10)15(9-14(16)17)8-12-3-4-12/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyXIGPWSYIVBTLNI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds5

About 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid

2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid (PubChem CID 64728458) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
PubChem CID64728458
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
SMILESCC1CC(C)CC(N(CC(=O)O)CC2CC2)C1
InChIInChI=1S/C14H25NO2/c1-10-5-11(2)7-13(6-10)15(9-14(16)17)8-12-3-4-12/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyXIGPWSYIVBTLNI-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 65054464
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
CID 65054609
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopropylmethyl-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[2-methoxyethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565164
2-[cyclopropylmethyl-(1-ethylpiperidin-4-yl)amino]acetic acid
CID 65055001
2-[[3-(1-cyclopropylethylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041603
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[cyclopropylmethyl-[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]amino]acetic acid
CID 122041392

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid (CID 64728458) is 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid is CC1CC(C)CC(N(CC(=O)O)CC2CC2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid?
The InChIKey is XIGPWSYIVBTLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-5-11(2)7-13(6-10)15(9-14(16)17)8-12-3-4-12/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid?
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 64728458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).