(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide

C15H23N3O2 — CID 3082491

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-10(2)8-12(16)15(20)18-13(14(17)19)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H2,17,19)(H,18,20)/t12-,13-/m0/s1
InChIKeyHVNQCDIUFGAINF-STQMWFEESA-N
MW277.37 g/mol
LogP0.57
Rot. Bonds7

About (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide (PubChem CID 3082491) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
PubChem CID3082491
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C15H23N3O2/c1-10(2)8-12(16)15(20)18-13(14(17)19)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H2,17,19)(H,18,20)/t12-,13-/m0/s1
InChIKeyHVNQCDIUFGAINF-STQMWFEESA-N
XLogP0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide (CID 3082491) is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide?
The InChIKey is HVNQCDIUFGAINF-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)8-12(16)15(20)18-13(14(17)19)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H2,17,19)(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide has a molecular weight of 277.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 3082491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).