2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid

C16H28N2O3 — CID 65241615

IUPAC2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
SMILESCNC1(CC(=O)NC2(CC(=O)O)CCCC2)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17-15(7-3-2-4-8-15)11-13(19)18-16(12-14(20)21)9-5-6-10-16/h17H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyLJWDVHUSPKUZKY-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.20
Rot. Bonds6

About 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid

2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid (PubChem CID 65241615) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
PubChem CID65241615
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
SMILESCNC1(CC(=O)NC2(CC(=O)O)CCCC2)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-17-15(7-3-2-4-8-15)11-13(19)18-16(12-14(20)21)9-5-6-10-16/h17H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyLJWDVHUSPKUZKY-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241928
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-[4-(methylamino)butanoylamino]cyclopentyl]acetic acid
CID 64702109
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
3-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242262
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
CID 114820838
2-[1-[3-(propan-2-ylamino)propanoylamino]cyclopentyl]acetic acid
CID 64702277

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid (CID 65241615) is 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid is CNC1(CC(=O)NC2(CC(=O)O)CCCC2)CCCCC1.
What is the InChIKey of 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid?
The InChIKey is LJWDVHUSPKUZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17-15(7-3-2-4-8-15)11-13(19)18-16(12-14(20)21)9-5-6-10-16/h17H,2-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 65241615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).