1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 79650770

IUPAC1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C2CCC(NC3CC3)(C(=O)O)C2)CCCO1
InChIInChI=1S/C15H26N2O3/c1-11-10-17(7-2-8-20-11)13-5-6-15(9-13,14(18)19)16-12-3-4-12/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyCBALVWFPCHQHIO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.23
Rot. Bonds4

About 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 79650770) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
PubChem CID79650770
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C2CCC(NC3CC3)(C(=O)O)C2)CCCO1
InChIInChI=1S/C15H26N2O3/c1-11-10-17(7-2-8-20-11)13-5-6-15(9-13,14(18)19)16-12-3-4-12/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyCBALVWFPCHQHIO-UHFFFAOYSA-N
XLogP1.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
methyl 1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645176
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651828
3-(2,6-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79649630
[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclohexyl]methanol
CID 79635369
1-(cyclopropylamino)-3-(2-ethylmorpholin-4-yl)cyclopentane-1-carboxamide
CID 79655045
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
1-(cyclopropylamino)-3-[3-(dimethylamino)piperidin-1-yl]cyclopentane-1-carboxamide
CID 79645673

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid (CID 79650770) is 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid is CC1CN(C2CCC(NC3CC3)(C(=O)O)C2)CCCO1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is CBALVWFPCHQHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-17(7-2-8-20-11)13-5-6-15(9-13,14(18)19)16-12-3-4-12/h11-13,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79650770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).