[4-(3-carboxypropyl)phenyl]-methylazanide

C11H14NO2- — CID 58832285

IUPAC[4-(3-carboxypropyl)phenyl]-methylazanide
SMILESC[N-]c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C11H14NO2/c1-12-10-7-5-9(6-8-10)3-2-4-11(13)14/h5-8H,2-4H2,1H3,(H,13,14)/q-1
InChIKeyKSYDJBHVOOPSGX-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.73
Rot. Bonds5

About [4-(3-carboxypropyl)phenyl]-methylazanide

[4-(3-carboxypropyl)phenyl]-methylazanide (PubChem CID 58832285) has the molecular formula C11H14NO2- and a molecular weight of 192.24 g/mol. Its IUPAC name is [4-(3-carboxypropyl)phenyl]-methylazanide.

Molecular Properties

Compound Name[4-(3-carboxypropyl)phenyl]-methylazanide
PubChem CID58832285
Molecular FormulaC11H14NO2-
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name[4-(3-carboxypropyl)phenyl]-methylazanide
SMILESC[N-]c1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C11H14NO2/c1-12-10-7-5-9(6-8-10)3-2-4-11(13)14/h5-8H,2-4H2,1H3,(H,13,14)/q-1
InChIKeyKSYDJBHVOOPSGX-UHFFFAOYSA-N
XLogP2.73
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-(3-carboxypropyl)phenyl]-methylazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
4-(4-iodophenyl)butanoic acid
CID 4645427
4-[4-[(dimethylamino)methyl]phenyl]butanoic acid
CID 117316229
4-[4-(3-hydroxy-3-methylbutyl)phenyl]butanoic acid
CID 117108398
4-[4-[hydroxy(methyl)amino]phenyl]butanoic acid
CID 147230924
10-(4-methylphenyl)decanoic acid
CID 54262490
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
4-(4-isocyanophenyl)butanoic acid
CID 58502572
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
4-[4-[2-(4-methylphenyl)ethynyl]phenyl]butanoic acid
CID 154693938
4-[4-(2-hydroxy-2-methylpropanoyl)phenyl]butanoic acid
CID 21191564
4-[4-(1-aminopropan-2-yl)phenyl]butanoic acid
CID 57275186

Frequently Asked Questions

What is the IUPAC name of [4-(3-carboxypropyl)phenyl]-methylazanide?
The IUPAC name of [4-(3-carboxypropyl)phenyl]-methylazanide (CID 58832285) is [4-(3-carboxypropyl)phenyl]-methylazanide.
What is the SMILES notation for [4-(3-carboxypropyl)phenyl]-methylazanide?
The canonical SMILES for [4-(3-carboxypropyl)phenyl]-methylazanide is C[N-]c1ccc(CCCC(=O)O)cc1.
What is the InChIKey of [4-(3-carboxypropyl)phenyl]-methylazanide?
The InChIKey is KSYDJBHVOOPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2/c1-12-10-7-5-9(6-8-10)3-2-4-11(13)14/h5-8H,2-4H2,1H3,(H,13,14)/q-1.
What are the key properties of [4-(3-carboxypropyl)phenyl]-methylazanide?
[4-(3-carboxypropyl)phenyl]-methylazanide has a molecular weight of 192.24 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-carboxypropyl)phenyl]-methylazanide is sourced from PubChem (CID 58832285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).