2-benzyl-3-hydroxy-3-(methylamino)propanamide

C11H16N2O2 — CID 174250147

IUPAC2-benzyl-3-hydroxy-3-(methylamino)propanamide
SMILESCNC(O)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-13-11(15)9(10(12)14)7-8-5-3-2-4-6-8/h2-6,9,11,13,15H,7H2,1H3,(H2,12,14)
InChIKeyYMQLZYXWXRILHE-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.13
Rot. Bonds5

About 2-benzyl-3-hydroxy-3-(methylamino)propanamide

2-benzyl-3-hydroxy-3-(methylamino)propanamide (PubChem CID 174250147) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-3-(methylamino)propanamide.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-3-(methylamino)propanamide
PubChem CID174250147
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-benzyl-3-hydroxy-3-(methylamino)propanamide
SMILESCNC(O)C(Cc1ccccc1)C(N)=O
InChIInChI=1S/C11H16N2O2/c1-13-11(15)9(10(12)14)7-8-5-3-2-4-6-8/h2-6,9,11,13,15H,7H2,1H3,(H2,12,14)
InChIKeyYMQLZYXWXRILHE-UHFFFAOYSA-N
XLogP-0.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-benzyl-3-(methylamino)butanedioic acid
CID 54550537
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
2-benzyl-3-hydroxy-4-(3-methylbutylamino)butanamide
CID 67677430
(2S,5S)-2-[(2S)-butan-2-yl]-5-(methylamino)-4-oxo-6-phenylhexanamide
CID 58071138
[(2S)-4-amino-1-[(2S)-4-amino-3-benzyl-2-(carboxyamino)-4-oxobutanoyl]oxy-3-benzyl-1,4-dioxobutan-2-yl]carbamic acid
CID 142729882
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
nitroso (2S)-2-(methylamino)-3-phenylpropanoate;hydrochloride
CID 174857329
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-3-(methylamino)propanamide?
The IUPAC name of 2-benzyl-3-hydroxy-3-(methylamino)propanamide (CID 174250147) is 2-benzyl-3-hydroxy-3-(methylamino)propanamide.
What is the SMILES notation for 2-benzyl-3-hydroxy-3-(methylamino)propanamide?
The canonical SMILES for 2-benzyl-3-hydroxy-3-(methylamino)propanamide is CNC(O)C(Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-benzyl-3-hydroxy-3-(methylamino)propanamide?
The InChIKey is YMQLZYXWXRILHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-11(15)9(10(12)14)7-8-5-3-2-4-6-8/h2-6,9,11,13,15H,7H2,1H3,(H2,12,14).
What are the key properties of 2-benzyl-3-hydroxy-3-(methylamino)propanamide?
2-benzyl-3-hydroxy-3-(methylamino)propanamide has a molecular weight of 208.26 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-3-(methylamino)propanamide is sourced from PubChem (CID 174250147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).