2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

C10H20N2O3 — CID 114949096

IUPAC2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-8(11)9(13)12(2)7-10(14)3-5-15-6-4-10/h8,14H,3-7,11H2,1-2H3
InChIKeyYQSDKMALEWTLPI-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.67
Rot. Bonds3

About 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide

2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (PubChem CID 114949096) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
PubChem CID114949096
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
SMILESCC(N)C(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C10H20N2O3/c1-8(11)9(13)12(2)7-10(14)3-5-15-6-4-10/h8,14H,3-7,11H2,1-2H3
InChIKeyYQSDKMALEWTLPI-UHFFFAOYSA-N
XLogP-0.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethyl-3-sulfanylidenepropanamide
CID 114949415
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401
(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 104985357
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
ethyl 2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-oxoacetate
CID 114951174
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenylacetamide
CID 114948710
(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 104985558
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 114950952
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide (CID 114949096) is 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is CC(N)C(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
The InChIKey is YQSDKMALEWTLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(11)9(13)12(2)7-10(14)3-5-15-6-4-10/h8,14H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide?
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide has a molecular weight of 216.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 114949096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).