(4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid

C15H22N2O3 — CID 67332902

IUPAC(4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)(Cc1ccccc1)N[C@@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C15H22N2O3/c1-15(2,10-11-6-4-3-5-7-11)17-12(14(16)20)8-9-13(18)19/h3-7,12,17H,8-10H2,1-2H3,(H2,16,20)(H,18,19)/t12-/m0/s1
InChIKeyYRGBQXQFLXVTBI-LBPRGKRZSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds8

About (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid

(4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 67332902) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid
PubChem CID67332902
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid
SMILESCC(C)(Cc1ccccc1)N[C@@H](CCC(=O)O)C(N)=O
InChIInChI=1S/C15H22N2O3/c1-15(2,10-11-6-4-3-5-7-11)17-12(14(16)20)8-9-13(18)19/h3-7,12,17H,8-10H2,1-2H3,(H2,16,20)(H,18,19)/t12-/m0/s1
InChIKeyYRGBQXQFLXVTBI-LBPRGKRZSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
(4R)-5-amino-4-[[(2S)-2-(dibenzylamino)propanoyl]amino]-5-oxopentanoic acid
CID 139751384
[(2S)-5-amino-2-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoyl] 4-(5-bromothiophen-2-yl)benzoate
CID 87360502
(4S)-4-(methylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 59366990
(2S)-N'-tert-butyl-2-(3-phenylpropanoylamino)pentanediamide
CID 118234452
4-[[(2S)-2-amino-4-phenylbutanoyl]amino]-4-methylpentanoic acid
CID 104984300
(4S)-5-amino-5-oxo-4-[3-[4-(4-phenylphenyl)phenyl]propanoylamino]pentanoic acid
CID 57336493
(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 10483007
[(2S)-5-amino-2-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoyl] 6-(5-chlorothiophen-2-yl)pyridine-3-carboxylate
CID 87361185
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
2-(benzylamino)-4,4-dimethylpentanamide
CID 62949870
benzyl 5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 3785894

Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid (CID 67332902) is (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid is CC(C)(Cc1ccccc1)N[C@@H](CCC(=O)O)C(N)=O.
What is the InChIKey of (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is YRGBQXQFLXVTBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,10-11-6-4-3-5-7-11)17-12(14(16)20)8-9-13(18)19/h3-7,12,17H,8-10H2,1-2H3,(H2,16,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid?
(4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-4-[(2-methyl-1-phenylpropan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 67332902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).