(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide

C12H17N3O2 — CID 11142613

IUPAC(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN
InChIInChI=1S/C12H17N3O2/c1-14-12(17)10(15-11(16)8-13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyWNHCZCJYGWSBDL-SNVBAGLBSA-N
MW235.29 g/mol
LogP-0.58
Rot. Bonds5

About (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide

(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide (PubChem CID 11142613) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
PubChem CID11142613
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN
InChIInChI=1S/C12H17N3O2/c1-14-12(17)10(15-11(16)8-13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeyWNHCZCJYGWSBDL-SNVBAGLBSA-N
XLogP-0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-2-aminoacetamide
CID 131712285
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-2-hydroxyacetic acid
CID 21307576
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 18490124
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-N-methyl-3-phenylpropanamide;ethane
CID 167455115
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 18490127
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 18490161
2-[[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoic acid
CID 18490116
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 18490909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide (CID 11142613) is (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide is CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide?
The InChIKey is WNHCZCJYGWSBDL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-12(17)10(15-11(16)8-13)7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide?
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide has a molecular weight of 235.29 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 11142613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).