2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid

C14H16N2O2 — CID 43656617

IUPAC2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESN#Cc1ccccc1CN(CC(=O)O)CC1CC1
InChIInChI=1S/C14H16N2O2/c15-7-12-3-1-2-4-13(12)9-16(10-14(17)18)8-11-5-6-11/h1-4,11H,5-6,8-10H2,(H,17,18)
InChIKeyNHBSOUIJILVVPO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.85
Rot. Bonds6

About 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656617) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656617
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESN#Cc1ccccc1CN(CC(=O)O)CC1CC1
InChIInChI=1S/C14H16N2O2/c15-7-12-3-1-2-4-13(12)9-16(10-14(17)18)8-11-5-6-11/h1-4,11H,5-6,8-10H2,(H,17,18)
InChIKeyNHBSOUIJILVVPO-UHFFFAOYSA-N
XLogP1.85
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[carboxymethyl-[(2-cyanophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327942
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
CID 104792711
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[4-[[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]methyl]piperidin-1-yl]acetic acid
CID 167068847
2-[(2-cyanophenyl)methyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 60838541
4-[2-carboxyethyl-[(2-cyanophenyl)methyl]amino]butanoic acid
CID 82327931
3-[(2-cyanophenyl)methyl-propylamino]propanoic acid
CID 82327915
2-[cyclopropylmethyl-[(2,4,5-trimethylphenyl)methyl]amino]acetic acid
CID 114078379
2-[cyclopropylmethyl-[(E)-3-phenylprop-2-enyl]amino]acetic acid
CID 43656590
2-[(3-cyano-2-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426085
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid (CID 43656617) is 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid is N#Cc1ccccc1CN(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is NHBSOUIJILVVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-7-12-3-1-2-4-13(12)9-16(10-14(17)18)8-11-5-6-11/h1-4,11H,5-6,8-10H2,(H,17,18).
What are the key properties of 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).