N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

C12H22N4O3 — CID 104921088

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCCN1CCOC(CNC(=O)C2(C(N)=NO)CC2)C1
InChIInChI=1S/C12H22N4O3/c1-2-16-5-6-19-9(8-16)7-14-11(17)12(3-4-12)10(13)15-18/h9,18H,2-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyZYBIARLHCQYBBD-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.65
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 104921088) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID104921088
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESCCN1CCOC(CNC(=O)C2(C(N)=NO)CC2)C1
InChIInChI=1S/C12H22N4O3/c1-2-16-5-6-19-9(8-16)7-14-11(17)12(3-4-12)10(13)15-18/h9,18H,2-8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyZYBIARLHCQYBBD-UHFFFAOYSA-N
XLogP-0.65
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 104921095
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
N-(1-ethylpiperidin-3-yl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76921455
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
2-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 115976418
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 104921088) is N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is CCN1CCOC(CNC(=O)C2(C(N)=NO)CC2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is ZYBIARLHCQYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-16-5-6-19-9(8-16)7-14-11(17)12(3-4-12)10(13)15-18/h9,18H,2-8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 104921088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).