1-(benzylamino)cycloheptane-1-carboxylic acid

C15H21NO2 — CID 60991600

IUPAC1-(benzylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccccc2)CCCCCC1
InChIInChI=1S/C15H21NO2/c17-14(18)15(10-6-1-2-7-11-15)16-12-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyLAPZFDGZMMGPPP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds4

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

1-(benzylamino)cycloheptane-1-carboxylic acid (PubChem CID 60991600) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(benzylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(benzylamino)cycloheptane-1-carboxylic acid
PubChem CID60991600
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(benzylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NCc2ccccc2)CCCCCC1
InChIInChI=1S/C15H21NO2/c17-14(18)15(10-6-1-2-7-11-15)16-12-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,17,18)
InChIKeyLAPZFDGZMMGPPP-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
CID 53422261
1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
3-(benzylamino)-1,1-dioxothiolane-3-carboxylic acid
CID 63165985
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
1-[(4-chlorophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81168085
1-[(4-iodophenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167632
1-[(3-hydroxyphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167827
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754
1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
CID 136541376
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(benzylamino)cycloheptane-1-carboxylic acid (CID 60991600) is 1-(benzylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(benzylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(benzylamino)cycloheptane-1-carboxylic acid is O=C(O)C1(NCc2ccccc2)CCCCCC1.
What is the InChIKey of 1-(benzylamino)cycloheptane-1-carboxylic acid?
The InChIKey is LAPZFDGZMMGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14(18)15(10-6-1-2-7-11-15)16-12-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,17,18).
What are the key properties of 1-(benzylamino)cycloheptane-1-carboxylic acid?
1-(benzylamino)cycloheptane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 60991600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).