3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

C16H30N2O2 — CID 79651710

IUPAC3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(N(C)CC2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-16(15(19)20)9-8-14(10-16)18(3)11-13-6-4-5-7-13/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyAXIREQRLFAIPNS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.48
Rot. Bonds6

About 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid

3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 79651710) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID79651710
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)NC1(C(=O)O)CCC(N(C)CC2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-16(15(19)20)9-8-14(10-16)18(3)11-13-6-4-5-7-13/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyAXIREQRLFAIPNS-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid (CID 79651710) is 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)NC1(C(=O)O)CCC(N(C)CC2CCCC2)C1.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is AXIREQRLFAIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)17-16(15(19)20)9-8-14(10-16)18(3)11-13-6-4-5-7-13/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid?
3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).