2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C17H29NO3 — CID 61071131

IUPAC2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(CC1CCCCC1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C17H29NO3/c1-18(13-14-7-3-2-4-8-14)15(19)11-17(12-16(20)21)9-5-6-10-17/h14H,2-13H2,1H3,(H,20,21)
InChIKeyNZQIUHZRZLWZCW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds6

About 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071131) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071131
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(CC1CCCCC1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C17H29NO3/c1-18(13-14-7-3-2-4-8-14)15(19)11-17(12-16(20)21)9-5-6-10-17/h14H,2-13H2,1H3,(H,20,21)
InChIKeyNZQIUHZRZLWZCW-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 63879965
2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61432230
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63956962
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071498
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
2-[1-[2-[bis(cyanomethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235041
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071131) is 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CN(CC1CCCCC1)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is NZQIUHZRZLWZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-18(13-14-7-3-2-4-8-14)15(19)11-17(12-16(20)21)9-5-6-10-17/h14H,2-13H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 295.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).