2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide

C12H20N2O4 — CID 130371017

IUPAC2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CNC=O)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C12H20N2O4/c1-8(2)4-9(11(17)12(3)6-18-12)14-10(16)5-13-7-15/h7-9H,4-6H2,1-3H3,(H,13,15)(H,14,16)/t9-,12+/m0/s1
InChIKeySKEWVWNYKVUTBM-JOYOIKCWSA-N
MW256.30 g/mol
LogP-0.38
Rot. Bonds8

About 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide

2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide (PubChem CID 130371017) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound Name2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide
PubChem CID130371017
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide
SMILESCC(C)C[C@H](NC(=O)CNC=O)C(=O)[C@@]1(C)CO1
InChIInChI=1S/C12H20N2O4/c1-8(2)4-9(11(17)12(3)6-18-12)14-10(16)5-13-7-15/h7-9H,4-6H2,1-3H3,(H,13,15)(H,14,16)/t9-,12+/m0/s1
InChIKeySKEWVWNYKVUTBM-JOYOIKCWSA-N
XLogP-0.38
TPSA87.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamic acid
CID 122640384
ethane;2-formamido-N-[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]acetamide;N-(1-methoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide;propane
CID 143460305
2-hydrazinyl-3-methoxy-N-[2-[[(2S)-4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-2-oxoethyl]propanamide
CID 145293742
4-methyl-2-(methylamino)-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 118582646
2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide;methoxymethane;N-[(2S)-3-methoxy-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2R)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;propane
CID 144777992
(2R)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-2-(phosphanylamino)pentan-1-one
CID 170087255
(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
CID 89426682
N-[(2S)-3-hydroxy-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6-methylheptanamide
CID 100996767
(2S)-4-methyl-N-[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[2-(5-piperidin-1-ylpentanoylamino)acetyl]amino]pentanamide
CID 143131474
3,3-dimethyl-N-[2-[[(2S)-4-methyl-1-[[2-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]hexanamide
CID 139310818
(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
(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 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide?
The IUPAC name of 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide (CID 130371017) is 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide?
The canonical SMILES for 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide is CC(C)C[C@H](NC(=O)CNC=O)C(=O)[C@@]1(C)CO1.
What is the InChIKey of 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide?
The InChIKey is SKEWVWNYKVUTBM-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)4-9(11(17)12(3)6-18-12)14-10(16)5-13-7-15/h7-9H,4-6H2,1-3H3,(H,13,15)(H,14,16)/t9-,12+/m0/s1.
What are the key properties of 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide?
2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide has a molecular weight of 256.30 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 130371017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).