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

C11H20N2O3 — CID 106101542

IUPAC3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESNC(CC(=O)NCC1(O)CCOC1)C1CC1
InChIInChI=1S/C11H20N2O3/c12-9(8-1-2-8)5-10(14)13-6-11(15)3-4-16-7-11/h8-9,15H,1-7,12H2,(H,13,14)
InChIKeyXORHHCULDZRRSK-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.62
Rot. Bonds5

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

3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 106101542) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID106101542
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESNC(CC(=O)NCC1(O)CCOC1)C1CC1
InChIInChI=1S/C11H20N2O3/c12-9(8-1-2-8)5-10(14)13-6-11(15)3-4-16-7-11/h8-9,15H,1-7,12H2,(H,13,14)
InChIKeyXORHHCULDZRRSK-UHFFFAOYSA-N
XLogP-0.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 103849517
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
N-[(3-hydroxyoxolan-3-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 103848866
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 106101542) is 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is NC(CC(=O)NCC1(O)CCOC1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is XORHHCULDZRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-9(8-1-2-8)5-10(14)13-6-11(15)3-4-16-7-11/h8-9,15H,1-7,12H2,(H,13,14).
What are the key properties of 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 228.29 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 106101542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).