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

C9H18N2O3 — CID 106101303

IUPAC3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H18N2O3/c1-7(4-10)8(12)11-5-9(13)2-3-14-6-9/h7,13H,2-6,10H2,1H3,(H,11,12)
InChIKeyNTQRKCALAWRZMH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.15
Rot. Bonds4

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

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (PubChem CID 106101303) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
PubChem CID106101303
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H18N2O3/c1-7(4-10)8(12)11-5-9(13)2-3-14-6-9/h7,13H,2-6,10H2,1H3,(H,11,12)
InChIKeyNTQRKCALAWRZMH-UHFFFAOYSA-N
XLogP-1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.15
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
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101365
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
6-amino-4-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101353
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide (CID 106101303) is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is CC(CN)C(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
The InChIKey is NTQRKCALAWRZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(4-10)8(12)11-5-9(13)2-3-14-6-9/h7,13H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide?
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide has a molecular weight of 202.25 g/mol, XLogP of -1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 106101303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).