N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide

C11H20N2O3 — CID 106100552

IUPACN-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
SMILESO=C(CCNCC1(O)CCOC1)NC1CC1
InChIInChI=1S/C11H20N2O3/c14-10(13-9-1-2-9)3-5-12-7-11(15)4-6-16-8-11/h9,12,15H,1-8H2,(H,13,14)
InChIKeyISKZTIZIWDGEQQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.60
Rot. Bonds6

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

N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide (PubChem CID 106100552) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
PubChem CID106100552
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide
SMILESO=C(CCNCC1(O)CCOC1)NC1CC1
InChIInChI=1S/C11H20N2O3/c14-10(13-9-1-2-9)3-5-12-7-11(15)4-6-16-8-11/h9,12,15H,1-8H2,(H,13,14)
InChIKeyISKZTIZIWDGEQQ-UHFFFAOYSA-N
XLogP-0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.60
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

1-(Azepan-1-yl)-3-[(3-hydroxyoxolan-3-yl)methylamino]butan-1-one
CID 75515464
N-cyclopropyl-3-[(4-hydroxyoxolan-3-yl)amino]propanamide
CID 79394516
1-Cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 103847259
N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103848909
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
1-(cyclopropylmethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 103849099
2-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849245
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbutanamide
CID 103849291
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbutanamide
CID 103849396
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 103849400
N-[3-[(3-hydroxyoxolan-3-yl)methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103849464

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide (CID 106100552) is N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide is O=C(CCNCC1(O)CCOC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
The InChIKey is ISKZTIZIWDGEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-10(13-9-1-2-9)3-5-12-7-11(15)4-6-16-8-11/h9,12,15H,1-8H2,(H,13,14).
What are the key properties of N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide?
N-cyclopropyl-3-[(3-hydroxyoxolan-3-yl)methylamino]propanamide has a molecular weight of 228.29 g/mol, XLogP of -0.60, 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-hydroxyoxolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 106100552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).