1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid

C14H16N2O2 — CID 114994248

IUPAC1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccc(CNC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H16N2O2/c15-9-11-4-3-5-12(8-11)10-16-14(13(17)18)6-1-2-7-14/h3-5,8,16H,1-2,6-7,10H2,(H,17,18)
InChIKeyORKZHXXZWFWJBQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.05
Rot. Bonds4

About 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid

1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid (PubChem CID 114994248) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
PubChem CID114994248
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccc(CNC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C14H16N2O2/c15-9-11-4-3-5-12(8-11)10-16-14(13(17)18)6-1-2-7-14/h3-5,8,16H,1-2,6-7,10H2,(H,17,18)
InChIKeyORKZHXXZWFWJBQ-UHFFFAOYSA-N
XLogP2.05
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 67025452
1-[[3-(methoxymethyl)phenyl]methylamino]cyclopentane-1-carboxylic acid
CID 136541376
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile
CID 146204287
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
2-[(3-cyanophenyl)methylcarbamoylamino]acetic acid
CID 16795379
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid (CID 114994248) is 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid is N#Cc1cccc(CNC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ORKZHXXZWFWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-9-11-4-3-5-12(8-11)10-16-14(13(17)18)6-1-2-7-14/h3-5,8,16H,1-2,6-7,10H2,(H,17,18).
What are the key properties of 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid?
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114994248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).