3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide

C13H24N2O4 — CID 142265147

IUPAC3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide
SMILESCC(C)CC(NC(=O)C(C)CN)C(=O)C1(CO)CO1
InChIInChI=1S/C13H24N2O4/c1-8(2)4-10(15-12(18)9(3)5-14)11(17)13(6-16)7-19-13/h8-10,16H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyHMSXUBKKRAHEJX-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.56
Rot. Bonds8

About 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide

3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide (PubChem CID 142265147) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide
PubChem CID142265147
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide
SMILESCC(C)CC(NC(=O)C(C)CN)C(=O)C1(CO)CO1
InChIInChI=1S/C13H24N2O4/c1-8(2)4-10(15-12(18)9(3)5-14)11(17)13(6-16)7-19-13/h8-10,16H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyHMSXUBKKRAHEJX-UHFFFAOYSA-N
XLogP-0.56
TPSA104.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-4-methoxybenzamide
CID 76573861
N-[(2S)-3-hydroxy-1-[[1-[(2S)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-3-phenylbenzamide
CID 142265112
3,4-dichloro-N-[(2S)-3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 89131893
N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxamide
CID 76573950
4-diphenylphosphoryl-N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 76574022
3-benzyl-N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 76574032
(2S)-2-amino-3-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]butanamide
CID 89426682
N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]isoquinoline-1-carboxamide
CID 76573889
(2S)-2-[3-(3,4-dichlorophenyl)prop-2-enoylamino]-3-hydroxy-N-[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 90960988
N-[3-hydroxy-1-[[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 76573821
[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]carbamic acid
CID 122640384
2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-hydroxy-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 142265078

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide (CID 142265147) is 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide is CC(C)CC(NC(=O)C(C)CN)C(=O)C1(CO)CO1.
What is the InChIKey of 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide?
The InChIKey is HMSXUBKKRAHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(2)4-10(15-12(18)9(3)5-14)11(17)13(6-16)7-19-13/h8-10,16H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide?
3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide has a molecular weight of 272.35 g/mol, XLogP of -0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 142265147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).