3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

C17H30N2O2 — CID 79645904

IUPAC3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESCN(C1CCCCCC1)C1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C17H30N2O2/c1-19(14-6-4-2-3-5-7-14)15-10-11-17(12-15,16(20)21)18-13-8-9-13/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyHMUNJJFGWUGQRR-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds5

About 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid

3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (PubChem CID 79645904) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
PubChem CID79645904
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
SMILESCN(C1CCCCCC1)C1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C17H30N2O2/c1-19(14-6-4-2-3-5-7-14)15-10-11-17(12-15,16(20)21)18-13-8-9-13/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyHMUNJJFGWUGQRR-UHFFFAOYSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
3-[cyclohexyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79650504
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79647676
3-[cyclopentyl(methyl)amino]-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655611
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79646403
3-[butan-2-yl(methyl)amino]-1-(cyclopropylamino)cyclohexane-1-carboxylic acid
CID 79636593
1-amino-3-[cyclohexyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 79650265
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
1-(methylamino)-3-[methyl-(2-methylcyclohexyl)amino]cyclopentane-1-carboxylic acid
CID 79654717
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654981

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid (CID 79645904) is 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is CN(C1CCCCCC1)C1CCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HMUNJJFGWUGQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-19(14-6-4-2-3-5-7-14)15-10-11-17(12-15,16(20)21)18-13-8-9-13/h13-15,18H,2-12H2,1H3,(H,20,21).
What are the key properties of 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid?
3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79645904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).