1-(propylamino)cycloheptane-1-carboxylic acid

C11H21NO2 — CID 43754029

IUPAC1-(propylamino)cycloheptane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-9-12-11(10(13)14)7-5-3-4-6-8-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeySUPKIZSJHCWLCX-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.16
Rot. Bonds4

About 1-(propylamino)cycloheptane-1-carboxylic acid

1-(propylamino)cycloheptane-1-carboxylic acid (PubChem CID 43754029) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(propylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(propylamino)cycloheptane-1-carboxylic acid
PubChem CID43754029
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(propylamino)cycloheptane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-9-12-11(10(13)14)7-5-3-4-6-8-11/h12H,2-9H2,1H3,(H,13,14)
InChIKeySUPKIZSJHCWLCX-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propylamino)thiane-3-carboxylic acid
CID 62872702
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533
ethyl 1-(propylamino)cycloheptane-1-carboxylate
CID 60796518
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
CID 115000755
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
CID 114992122
1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
CID 66189809
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(propylamino)cycloheptane-1-carboxylic acid (CID 43754029) is 1-(propylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(propylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(propylamino)cycloheptane-1-carboxylic acid is CCCNC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(propylamino)cycloheptane-1-carboxylic acid?
The InChIKey is SUPKIZSJHCWLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-9-12-11(10(13)14)7-5-3-4-6-8-11/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-(propylamino)cycloheptane-1-carboxylic acid?
1-(propylamino)cycloheptane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43754029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).