2-[4-(1,2-diaminoethyl)phenyl]acetic acid

C10H14N2O2 — CID 55297408

IUPAC2-[4-(1,2-diaminoethyl)phenyl]acetic acid
SMILESNCC(N)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c11-6-9(12)8-3-1-7(2-4-8)5-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)
InChIKeyYHACLZPKUDVTCZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-(1,2-diaminoethyl)phenyl]acetic acid

2-[4-(1,2-diaminoethyl)phenyl]acetic acid (PubChem CID 55297408) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[4-(1,2-diaminoethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2-diaminoethyl)phenyl]acetic acid
PubChem CID55297408
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[4-(1,2-diaminoethyl)phenyl]acetic acid
SMILESNCC(N)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c11-6-9(12)8-3-1-7(2-4-8)5-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)
InChIKeyYHACLZPKUDVTCZ-UHFFFAOYSA-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

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Related Compounds

2-[3-[4-(1,2-diaminoethyl)phenyl]phenyl]acetic acid
CID 170894464
2-[4-(1-amino-2-oxopropyl)phenyl]acetic acid
CID 69354051
2-[4-(1-aminoprop-2-enyl)phenyl]acetic acid
CID 55273244
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294
2-[2-[(1R)-1,2-diaminoethyl]phenyl]acetic acid
CID 66516484
2-amino-3-[4-(carboxymethyl)phenyl]propanoic acid;hydrochloride
CID 73014170
2-[4-(1-methoxyethyl)phenyl]acetic acid
CID 84618183
2-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetic acid
CID 171862336
methyl 4-[(1R)-1,2-diaminoethyl]benzoate
CID 66516439

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-diaminoethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,2-diaminoethyl)phenyl]acetic acid (CID 55297408) is 2-[4-(1,2-diaminoethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,2-diaminoethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,2-diaminoethyl)phenyl]acetic acid is NCC(N)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(1,2-diaminoethyl)phenyl]acetic acid?
The InChIKey is YHACLZPKUDVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-6-9(12)8-3-1-7(2-4-8)5-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14).
What are the key properties of 2-[4-(1,2-diaminoethyl)phenyl]acetic acid?
2-[4-(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-[4-(1,2-diaminoethyl)phenyl]acetic acid is sourced from PubChem (CID 55297408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).