tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid

C19H30N2O3 — CID 68573466

IUPACtert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)11-12-20-17(22)16(13-15-9-7-6-8-10-15)21(18(23)24)19(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeyCVPFIOIGUOADFT-MRXNPFEDSA-N
MW334.46 g/mol
LogP3.54
Rot. Bonds7

About tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid

tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (PubChem CID 68573466) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
PubChem CID68573466
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
SMILESCC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C19H30N2O3/c1-14(2)11-12-20-17(22)16(13-15-9-7-6-8-10-15)21(18(23)24)19(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,23,24)/t16-/m1/s1
InChIKeyCVPFIOIGUOADFT-MRXNPFEDSA-N
XLogP3.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 53427567
tert-butyl-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67430309
tert-butyl-[(2R)-1-phenylpropan-2-yl]carbamic acid
CID 66990689
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214755
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133214644
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133213770
[(2S)-1-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylamino]-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropan-2-yl]-tert-butylcarbamic acid
CID 57063701
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
tert-butyl-[(2S,3R)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 66716676
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid (CID 68573466) is tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid is CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
The InChIKey is CVPFIOIGUOADFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)11-12-20-17(22)16(13-15-9-7-6-8-10-15)21(18(23)24)19(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,20,22)(H,23,24)/t16-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid has a molecular weight of 334.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68573466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).