N-benzyl-N-methylglycine

C10H13NO2 — CID 301761

IUPAC2-[benzyl(methyl)amino]acetic acid
SMILESCN(CC1=CC=CC=C1)CC(=O)O
InChIInChI=1S/C10H13NO2/c1-11(8-10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyOZKZHAPLKMRAQT-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.90
Rot. Bonds4

About N-benzyl-N-methylglycine

N-benzyl-N-methylglycine (PubChem CID 301761) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]acetic acid.

Molecular Properties

Compound NameN-benzyl-N-methylglycine
PubChem CID301761
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[benzyl(methyl)amino]acetic acid
SMILESCN(CC1=CC=CC=C1)CC(=O)O
InChIInChI=1S/C10H13NO2/c1-11(8-10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyOZKZHAPLKMRAQT-UHFFFAOYSA-N
XLogP-0.90
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
2-(Benzylamino)acetic acid
CID 86965
N-benzoyl-N-methylglycine
CID 75728
Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
N-Benzylaminodiacetic acid
CID 77606
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
Benzenemethanamine, N-(phenylmethyl)-, acetate (1:1)
CID 174893
3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
CID 69926
2-(Dibenzylamino)acetic acid
CID 174082
2-(2,3-dihydro-1H-isoindol-2-yl)acetic acid
CID 954465
N-Benzylglycine Hydrochloride
CID 2756624

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylglycine?
The IUPAC name of N-benzyl-N-methylglycine (CID 301761) is 2-[benzyl(methyl)amino]acetic acid.
What is the SMILES notation for N-benzyl-N-methylglycine?
The canonical SMILES for N-benzyl-N-methylglycine is CN(CC1=CC=CC=C1)CC(=O)O.
What is the InChIKey of N-benzyl-N-methylglycine?
The InChIKey is OZKZHAPLKMRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(8-10(12)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of N-benzyl-N-methylglycine?
N-benzyl-N-methylglycine has a molecular weight of 179.22 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylglycine is sourced from PubChem (CID 301761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).