2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid

C16H18N2O2 — CID 22326285

IUPAC2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-15(16(19)20)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2,(H,19,20)
InChIKeyHCWDSNCCXBUKTC-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.06
Rot. Bonds6

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

2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid (PubChem CID 22326285) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
PubChem CID22326285
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O2/c17-15(16(19)20)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2,(H,19,20)
InChIKeyHCWDSNCCXBUKTC-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
N-benzyl-1-phenylmethanamine;2,3-dihydroxybutanedioic acid
CID 175540511
CID 172809734
CID 172809734
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
2-amino-2-[4-(4-benzylphenoxy)phenyl]acetic acid;hydrochloride
CID 67352020
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
3-[4-[(S)-amino(carboxy)methyl]phenyl]propanoic acid
CID 66512477
2-amino-2-(benzylamino)acetic acid
CID 142782950
2-[4-[[(4-bromophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234963

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid (CID 22326285) is 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid is NC(C(=O)O)c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid?
The InChIKey is HCWDSNCCXBUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-15(16(19)20)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9,15,18H,10-11,17H2,(H,19,20).
What are the key properties of 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid?
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 22326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).