(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide

C12H24N2O3 — CID 113450272

IUPAC(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
SMILESCOC1(CNC(=O)[C@@H](N)CC(C)C)CCOC1
InChIInChI=1S/C12H24N2O3/c1-9(2)6-10(13)11(15)14-7-12(16-3)4-5-17-8-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t10-,12?/m0/s1
InChIKeyUSMPTGQEASHXMU-NUHJPDEHSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds6

About (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide

(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide (PubChem CID 113450272) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
PubChem CID113450272
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
SMILESCOC1(CNC(=O)[C@@H](N)CC(C)C)CCOC1
InChIInChI=1S/C12H24N2O3/c1-9(2)6-10(13)11(15)14-7-12(16-3)4-5-17-8-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t10-,12?/m0/s1
InChIKeyUSMPTGQEASHXMU-NUHJPDEHSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
2-(N'-hydroxycarbamimidoyl)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 104764646
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
CID 104764442
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537472
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2-amino-3-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 103266375
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide (CID 113450272) is (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide is COC1(CNC(=O)[C@@H](N)CC(C)C)CCOC1.
What is the InChIKey of (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide?
The InChIKey is USMPTGQEASHXMU-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)6-10(13)11(15)14-7-12(16-3)4-5-17-8-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t10-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide?
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 113450272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).