3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide

C15H23N3O2 — CID 103796335

IUPAC3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)18-12(19)9-10-17-14(20)13(16)11-7-5-4-6-8-11/h4-8,13H,9-10,16H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeySOKZHFKXTPTEGR-CYBMUJFWSA-N
MW277.37 g/mol
LogP1.11
Rot. Bonds5

About 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide

3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide (PubChem CID 103796335) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
PubChem CID103796335
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)18-12(19)9-10-17-14(20)13(16)11-7-5-4-6-8-11/h4-8,13H,9-10,16H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeySOKZHFKXTPTEGR-CYBMUJFWSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-tert-butyl-3-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 115605278
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
(2R)-2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylacetamide
CID 61156610
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
N-tert-butyl-3-[(2,2,2-trifluoro-1-phenylethyl)amino]propanamide
CID 115750835
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 104898280
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide (CID 103796335) is 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide is CC(C)(C)NC(=O)CCNC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
The InChIKey is SOKZHFKXTPTEGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)18-12(19)9-10-17-14(20)13(16)11-7-5-4-6-8-11/h4-8,13H,9-10,16H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide?
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 103796335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).