N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide

C12H22N2O3 — CID 106101015

IUPACN-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
SMILESCC1OCCC1(O)CNCCC(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-9-12(16,5-7-17-9)8-13-6-4-11(15)14-10-2-3-10/h9-10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyFIFOUVLSHHDTRA-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.22
Rot. Bonds6

About N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide

N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide (PubChem CID 106101015) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
PubChem CID106101015
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
SMILESCC1OCCC1(O)CNCCC(=O)NC1CC1
InChIInChI=1S/C12H22N2O3/c1-9-12(16,5-7-17-9)8-13-6-4-11(15)14-10-2-3-10/h9-10,13,16H,2-8H2,1H3,(H,14,15)
InChIKeyFIFOUVLSHHDTRA-UHFFFAOYSA-N
XLogP-0.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[(4-hydroxyoxan-4-yl)methylamino]propanamide
CID 81130188
3-(cyclopropylamino)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 81131066
3-[(Cyclopropylamino)methyl]-2-methyloxolan-3-ol
CID 82718363
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 103848990
3-(dimethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849055
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103849464
3-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849591
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-3-ylpropanamide
CID 106100394
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 106100395
N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
CID 106100552
N-ethyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
CID 106100668
3-[(3-hydroxyoxolan-3-yl)methylamino]-N-methylpropanamide
CID 106100669

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide (CID 106101015) is N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide is CC1OCCC1(O)CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide?
The InChIKey is FIFOUVLSHHDTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-12(16,5-7-17-9)8-13-6-4-11(15)14-10-2-3-10/h9-10,13,16H,2-8H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide?
N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 106101015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).