(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide

C12H24N2O3 — CID 58124625

IUPAC(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)9(13)10(15)14-8-12(16)4-6-17-7-5-12/h9,16H,4-8,13H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyXYSJFPHEZGZWEA-SECBINFHSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds3

About (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 58124625) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
PubChem CID58124625
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)9(13)10(15)14-8-12(16)4-6-17-7-5-12/h9,16H,4-8,13H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyXYSJFPHEZGZWEA-SECBINFHSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
N-[1-[(4-hydroxyoxan-4-yl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 79039871
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
(2S)-2-amino-3,3-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide;dihydrochloride
CID 119896471
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 81130040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide (CID 58124625) is (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is XYSJFPHEZGZWEA-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)9(13)10(15)14-8-12(16)4-6-17-7-5-12/h9,16H,4-8,13H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 58124625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).