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

C11H22N2O3 — CID 106101485

IUPAC(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H22N2O3/c1-8(2)5-9(12)10(14)13-6-11(15)3-4-16-7-11/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)/t9-,11?/m0/s1
InChIKeyDWKNLZOLKIXPAF-FTNKSUMCSA-N
MW230.31 g/mol
LogP-0.37
Rot. Bonds5

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

(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide (PubChem CID 106101485) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
PubChem CID106101485
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H22N2O3/c1-8(2)5-9(12)10(14)13-6-11(15)3-4-16-7-11/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)/t9-,11?/m0/s1
InChIKeyDWKNLZOLKIXPAF-FTNKSUMCSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101365
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpentanamide
CID 65119829
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
CID 104903845
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide (CID 106101485) is (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC1(O)CCOC1.
What is the InChIKey of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide?
The InChIKey is DWKNLZOLKIXPAF-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)5-9(12)10(14)13-6-11(15)3-4-16-7-11/h8-9,15H,3-7,12H2,1-2H3,(H,13,14)/t9-,11?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide?
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide has a molecular weight of 230.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 106101485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).