(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide

C14H26N2O3 — CID 89426682

IUPAC(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C14H26N2O3/c1-8(2)6-10(12(17)14(5)7-19-14)16-13(18)11(15)9(3)4/h8-11H,6-7,15H2,1-5H3,(H,16,18)/t10-,11-,14+/m0/s1
InChIKeyINDVUKMPYOMZPG-COPLHBTASA-N
MW270.37 g/mol
LogP0.86
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide

(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide (PubChem CID 89426682) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
PubChem CID89426682
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C14H26N2O3/c1-8(2)6-10(12(17)14(5)7-19-14)16-13(18)11(15)9(3)4/h8-11H,6-7,15H2,1-5H3,(H,16,18)/t10-,11-,14+/m0/s1
InChIKeyINDVUKMPYOMZPG-COPLHBTASA-N
XLogP0.86
TPSA84.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamic acid
CID 122640384
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-2-phosphanylacetyl]amino]-4-methylpentanoyl]amino]-4-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]pentanamide
CID 163627635
2-amino-N-[4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 143460384
(2S)-2-amino-N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 90400022
4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 118582646
(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
CID 170087255
2-amino-3-methyl-1-[(2R)-2-methyloxiran-2-yl]butan-1-one
CID 87415294
2-amino-4-methyl-N-[(2S)-1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 88863238
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]hexanamide
CID 71495651
2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide
CID 130371017
2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18232414
(2S)-2-(ethylamino)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;molecular hydrogen
CID 144509195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide (CID 89426682) is (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide is CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)[C@@]1(C)CO1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide?
The InChIKey is INDVUKMPYOMZPG-COPLHBTASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-8(2)6-10(12(17)14(5)7-19-14)16-13(18)11(15)9(3)4/h8-11H,6-7,15H2,1-5H3,(H,16,18)/t10-,11-,14+/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide?
(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide has a molecular weight of 270.37 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide is sourced from PubChem (CID 89426682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).