2-amino-2-(phenylmethoxymethyl)butanediamide

C12H17N3O3 — CID 69284730

IUPAC2-amino-2-(phenylmethoxymethyl)butanediamide
SMILESNC(=O)CC(N)(COCc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O3/c13-10(16)6-12(15,11(14)17)8-18-7-9-4-2-1-3-5-9/h1-5H,6-8,15H2,(H2,13,16)(H2,14,17)
InChIKeyYKRLHZITTCPVDT-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.74
Rot. Bonds7

About 2-amino-2-(phenylmethoxymethyl)butanediamide

2-amino-2-(phenylmethoxymethyl)butanediamide (PubChem CID 69284730) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-2-(phenylmethoxymethyl)butanediamide.

Molecular Properties

Compound Name2-amino-2-(phenylmethoxymethyl)butanediamide
PubChem CID69284730
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-amino-2-(phenylmethoxymethyl)butanediamide
SMILESNC(=O)CC(N)(COCc1ccccc1)C(N)=O
InChIInChI=1S/C12H17N3O3/c13-10(16)6-12(15,11(14)17)8-18-7-9-4-2-1-3-5-9/h1-5H,6-8,15H2,(H2,13,16)(H2,14,17)
InChIKeyYKRLHZITTCPVDT-UHFFFAOYSA-N
XLogP-0.74
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
benzyl carbamate;heptahydrochloride
CID 141351835
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
benzyl 4-amino-2,2-dimethyl-4-oxobutanoate
CID 66875161
[(2R)-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 175249859
[(2S)-1-amino-1-oxo-3-phenylmethoxypropan-2-yl] carbamate
CID 174753474
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxymethyl)propanoic acid
CID 22557178
tribenzyl 2-aminopropane-1,2,3-tricarboxylate
CID 44511346
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(phenylmethoxymethyl)butanediamide?
The IUPAC name of 2-amino-2-(phenylmethoxymethyl)butanediamide (CID 69284730) is 2-amino-2-(phenylmethoxymethyl)butanediamide.
What is the SMILES notation for 2-amino-2-(phenylmethoxymethyl)butanediamide?
The canonical SMILES for 2-amino-2-(phenylmethoxymethyl)butanediamide is NC(=O)CC(N)(COCc1ccccc1)C(N)=O.
What is the InChIKey of 2-amino-2-(phenylmethoxymethyl)butanediamide?
The InChIKey is YKRLHZITTCPVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(16)6-12(15,11(14)17)8-18-7-9-4-2-1-3-5-9/h1-5H,6-8,15H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-amino-2-(phenylmethoxymethyl)butanediamide?
2-amino-2-(phenylmethoxymethyl)butanediamide has a molecular weight of 251.29 g/mol, XLogP of -0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(phenylmethoxymethyl)butanediamide is sourced from PubChem (CID 69284730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).