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

C15H27NO2 — CID 65054464

IUPAC2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC2CC2)CC(C)(C)C1
InChIInChI=1S/C15H27NO2/c1-11-6-13(8-15(2,3)7-11)16(10-14(17)18)9-12-4-5-12/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyRKPUTXMAHBVYIL-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds5

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

2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid (PubChem CID 65054464) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
PubChem CID65054464
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
SMILESCC1CC(N(CC(=O)O)CC2CC2)CC(C)(C)C1
InChIInChI=1S/C15H27NO2/c1-11-6-13(8-15(2,3)7-11)16(10-14(17)18)9-12-4-5-12/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyRKPUTXMAHBVYIL-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
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-(3,3,5,5-tetramethylcyclohexyl)amino]acetic acid
CID 103961392
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[prop-2-ynyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 79283565
2-[(1,1-dioxothiolan-3-yl)-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 65059684
2-[methyl-[2-(3,3,5-trimethylcyclohexyl)acetyl]amino]acetic acid
CID 119171819
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[(1S,5S)-3,3,5-trimethylcyclohexyl]acetic acid
CID 40579133
2-[cyclopropylmethyl-(2,2-dimethyloxan-4-yl)amino]acetic acid
CID 65054656
2-[cyclopropylmethyl-(3-ethylcyclopentyl)amino]acetic acid
CID 65055054
2-[cyclopropylmethyl-(3-methoxycyclobutyl)amino]acetic acid
CID 106824276
2-[cyclopropylmethyl-(2-methyloxan-4-yl)amino]acetic acid
CID 65054609

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid (CID 65054464) is 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid is CC1CC(N(CC(=O)O)CC2CC2)CC(C)(C)C1.
What is the InChIKey of 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid?
The InChIKey is RKPUTXMAHBVYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-6-13(8-15(2,3)7-11)16(10-14(17)18)9-12-4-5-12/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid?
2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65054464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).