tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate

C19H30N2O3 — CID 110288491

IUPACtert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CNC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)11-16(21-18(23)24-19(3,4)5)13-20-17(22)12-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyTYZFYLXEWLWZCP-INIZCTEOSA-N
MW334.46 g/mol
LogP3.28
Rot. Bonds7

About tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate

tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate (PubChem CID 110288491) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
PubChem CID110288491
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
SMILESCC(C)C[C@@H](CNC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)11-16(21-18(23)24-19(3,4)5)13-20-17(22)12-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyTYZFYLXEWLWZCP-INIZCTEOSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-(3-phenoxypropanoylamino)pentan-2-yl]carbamate
CID 110288498
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
ethyl N-[4-methyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentan-2-yl]carbamate
CID 55654735
(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenylpropanoic acid
CID 2756019
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
CID 7408458
tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
CID 110627490
tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 20814870
2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 4712524
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate (CID 110288491) is tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate is CC(C)C[C@@H](CNC(=O)Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate?
The InChIKey is TYZFYLXEWLWZCP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)11-16(21-18(23)24-19(3,4)5)13-20-17(22)12-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate?
tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 110288491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).