2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid

C10H14N2O2 — CID 66516484

IUPAC2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
SMILESNC[C@H](N)c1ccccc1CC(=O)O
InChIInChI=1S/C10H14N2O2/c11-6-9(12)8-4-2-1-3-7(8)5-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
InChIKeyVVNSJBDZMAPEQF-VIFPVBQESA-N
MW194.23 g/mol
LogP0.27
Rot. Bonds4

About 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid

2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid (PubChem CID 66516484) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
PubChem CID66516484
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
SMILESNC[C@H](N)c1ccccc1CC(=O)O
InChIInChI=1S/C10H14N2O2/c11-6-9(12)8-4-2-1-3-7(8)5-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1
InChIKeyVVNSJBDZMAPEQF-VIFPVBQESA-N
XLogP0.27
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid 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

2-[3-[(1R)-1,2-diaminoethyl]-2-hydroxyphenyl]acetic acid
CID 66516952
2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 66516096
2-[2-(dihydroxymethyl)phenyl]acetic acid
CID 178118262
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
copper bis(2-(1,2-diaminoethyl)benzoate)
CID 23344060
2-[(1R)-1,2-diaminoethyl]-6-ethylphenol
CID 66516119
2-[4-(1,2-diaminoethyl)phenyl]acetic acid
CID 55297408
2-[2-(1-chloro-2-oxopropyl)phenyl]acetic acid
CID 131474693
3-[(1S)-1,2-diaminoethyl]pyridine-2-carboxylic acid
CID 55274136
2-[3-[(1S)-1-amino-2-hydroxyethyl]-2-hydroxyphenyl]acetic acid
CID 66514499
3-(1,2-diaminoethyl)phthalic acid
CID 175050908
CID 172781001
CID 172781001

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid (CID 66516484) is 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid is NC[C@H](N)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid?
The InChIKey is VVNSJBDZMAPEQF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-9(12)8-4-2-1-3-7(8)5-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid?
2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid is sourced from PubChem (CID 66516484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).