(2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

C15H23N3O2 — CID 10492789

IUPAC(2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H23N3O2/c1-10(2)13(16)15(20)18-12(14(19)17-3)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9,16H2,1-3H3,(H,17,19)(H,18,20)/t12-,13-/m0/s1
InChIKeyBGTAIUMSBSLZTL-STQMWFEESA-N
MW277.37 g/mol
LogP0.44
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide

(2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide (PubChem CID 10492789) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
PubChem CID10492789
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C15H23N3O2/c1-10(2)13(16)15(20)18-12(14(19)17-3)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9,16H2,1-3H3,(H,17,19)(H,18,20)/t12-,13-/m0/s1
InChIKeyBGTAIUMSBSLZTL-STQMWFEESA-N
XLogP0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide (CID 10492789) is (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide is CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
The InChIKey is BGTAIUMSBSLZTL-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)13(16)15(20)18-12(14(19)17-3)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9,16H2,1-3H3,(H,17,19)(H,18,20)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide?
(2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 10492789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).