2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 65241761

IUPAC2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCNC1(CC(=O)NC2CCCC2C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-16-15(8-3-2-4-9-15)10-13(18)17-12-7-5-6-11(12)14(19)20/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyXHAFFKJOOAVFNP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds5

About 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid

2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 65241761) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID65241761
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCNC1(CC(=O)NC2CCCC2C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O3/c1-16-15(8-3-2-4-9-15)10-13(18)17-12-7-5-6-11(12)14(19)20/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyXHAFFKJOOAVFNP-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107221672
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103555673
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
2-(4-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 64812288
2-[1-(methylamino)cyclohexyl]-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418498
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 64813718
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63278195
2-[(2-methoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 64814951
2-(5-aminohexanoylamino)cyclopentane-1-carboxylic acid
CID 82851867
N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240476

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 65241761) is 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid is CNC1(CC(=O)NC2CCCC2C(=O)O)CCCCC1.
What is the InChIKey of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XHAFFKJOOAVFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16-15(8-3-2-4-9-15)10-13(18)17-12-7-5-6-11(12)14(19)20/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 65241761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).