2-amino-2-[4-(aminomethyl)phenyl]acetic acid

C9H12N2O2 — CID 21252767

IUPAC2-amino-2-[4-(aminomethyl)phenyl]acetic acid
SMILESNCc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
InChIKeyASRVEEPYXSBQFY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.23
Rot. Bonds3

About 2-amino-2-[4-(aminomethyl)phenyl]acetic acid

2-amino-2-[4-(aminomethyl)phenyl]acetic acid (PubChem CID 21252767) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-2-[4-(aminomethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(aminomethyl)phenyl]acetic acid
PubChem CID21252767
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-2-[4-(aminomethyl)phenyl]acetic acid
SMILESNCc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C9H12N2O2/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
InChIKeyASRVEEPYXSBQFY-UHFFFAOYSA-N
XLogP0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(S)-amino(carboxy)methyl]phenyl]propanoic acid
CID 66512477
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid
CID 117319672
2-amino-2-[4-(3-hydroxy-3-methylbutyl)phenyl]acetic acid
CID 117115063
azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
CID 172809734
CID 172809734
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid
CID 115004692

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(aminomethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(aminomethyl)phenyl]acetic acid (CID 21252767) is 2-amino-2-[4-(aminomethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(aminomethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(aminomethyl)phenyl]acetic acid is NCc1ccc(C(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-2-[4-(aminomethyl)phenyl]acetic acid?
The InChIKey is ASRVEEPYXSBQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-5-6-1-3-7(4-2-6)8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13).
What are the key properties of 2-amino-2-[4-(aminomethyl)phenyl]acetic acid?
2-amino-2-[4-(aminomethyl)phenyl]acetic acid has a molecular weight of 180.21 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(aminomethyl)phenyl]acetic acid is sourced from PubChem (CID 21252767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).