1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid

C16H28N2O3 — CID 79646403

IUPAC1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCCO1)C1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-18(11-14-4-2-3-9-21-14)13-7-8-16(10-13,15(19)20)17-12-5-6-12/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyOHDSDGZJIVEIOQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.62
Rot. Bonds6

About 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 79646403) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid
PubChem CID79646403
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCCO1)C1CCC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-18(11-14-4-2-3-9-21-14)13-7-8-16(10-13,15(19)20)17-12-5-6-12/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyOHDSDGZJIVEIOQ-UHFFFAOYSA-N
XLogP1.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[methyl(oxolan-2-ylmethyl)amino]cyclopentane-1-carboxamide
CID 79655154
3-[cyclohexylmethyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79647676
3-[cycloheptyl(methyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79645904
[1-(ethylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79657043
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651710
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
1-(cyclopropylamino)-3-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 79635913
[1-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]cyclohexyl]methanol
CID 79635541
1-(cyclopropylamino)-3-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxamide
CID 79641404
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
1-(ethylamino)-3-[methyl(oxan-4-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79650862

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid (CID 79646403) is 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid is CN(CC1CCCCO1)C1CCC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OHDSDGZJIVEIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-18(11-14-4-2-3-9-21-14)13-7-8-16(10-13,15(19)20)17-12-5-6-12/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79646403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).