(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide

C10H20N2O2 — CID 61179026

IUPAC(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCC1CCOC1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(11)10(13)12-5-8-3-4-14-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyQILMEZBATVSISJ-GKAPJAKFSA-N
MW200.28 g/mol
LogP0.12
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide

(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide (PubChem CID 61179026) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
PubChem CID61179026
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCC1CCOC1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(11)10(13)12-5-8-3-4-14-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)/t8?,9-/m0/s1
InChIKeyQILMEZBATVSISJ-GKAPJAKFSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
(2S)-2-amino-N-[2-[cyclopropyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963767
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide (CID 61179026) is (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide is CC(C)[C@H](N)C(=O)NCC1CCOC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
The InChIKey is QILMEZBATVSISJ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9(11)10(13)12-5-8-3-4-14-6-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide?
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide is sourced from PubChem (CID 61179026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).