2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C8H16N2O3 — CID 106101394

IUPAC2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCC(N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H16N2O3/c1-6(9)7(11)10-4-8(12)2-3-13-5-8/h6,12H,2-5,9H2,1H3,(H,10,11)
InChIKeyVCDVEJSHMJBSDO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.40
Rot. Bonds3

About 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 106101394) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID106101394
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESCC(N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C8H16N2O3/c1-6(9)7(11)10-4-8(12)2-3-13-5-8/h6,12H,2-5,9H2,1H3,(H,10,11)
InChIKeyVCDVEJSHMJBSDO-UHFFFAOYSA-N
XLogP-1.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101365
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
(2R)-2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]propanamide
CID 119336130
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 106101319
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 106101394) is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is CC(N)C(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is VCDVEJSHMJBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(9)7(11)10-4-8(12)2-3-13-5-8/h6,12H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 188.23 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 106101394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).