(2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide

C18H28N2O2 — CID 141029386

IUPAC(2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-5-13(4)16(17(21)14-9-7-6-8-10-14)20-18(22)15(19)11-12(2)3/h6-10,12-13,15-16H,5,11,19H2,1-4H3,(H,20,22)/t13-,15-,16-/m0/s1
InChIKeyPBYXQLBTFJASKQ-BPUTZDHNSA-N
MW304.43 g/mol
LogP2.77
Rot. Bonds8

About (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide

(2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide (PubChem CID 141029386) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide
PubChem CID141029386
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-5-13(4)16(17(21)14-9-7-6-8-10-14)20-18(22)15(19)11-12(2)3/h6-10,12-13,15-16H,5,11,19H2,1-4H3,(H,20,22)/t13-,15-,16-/m0/s1
InChIKeyPBYXQLBTFJASKQ-BPUTZDHNSA-N
XLogP2.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 61173670
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2R,3R)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide
CID 175262539
methyl (2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoate
CID 15017829
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 22706601
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 22706407
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
benzyl (4S)-5-amino-4-[[(2S,3S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoate
CID 51427193
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 22706237
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
CID 18300641
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid
CID 22706284
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 22706159
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 73345957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide (CID 141029386) is (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide is CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide?
The InChIKey is PBYXQLBTFJASKQ-BPUTZDHNSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-13(4)16(17(21)14-9-7-6-8-10-14)20-18(22)15(19)11-12(2)3/h6-10,12-13,15-16H,5,11,19H2,1-4H3,(H,20,22)/t13-,15-,16-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide?
(2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide has a molecular weight of 304.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]pentanamide is sourced from PubChem (CID 141029386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).