N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide

C10H19N3O3 — CID 76946958

IUPACN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C10H19N3O3/c1-16-7-4-8(14)12-10(9(11)13-15)5-2-3-6-10/h15H,2-7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyNBCCPNJYQDBLEN-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.20
Rot. Bonds5

About N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide

N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide (PubChem CID 76946958) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
PubChem CID76946958
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC NameN-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1(C(N)=NO)CCCC1
InChIInChI=1S/C10H19N3O3/c1-16-7-4-8(14)12-10(9(11)13-15)5-2-3-6-10/h15H,2-7H2,1H3,(H2,11,13)(H,12,14)
InChIKeyNBCCPNJYQDBLEN-UHFFFAOYSA-N
XLogP0.20
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethoxy-N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]propanamide
CID 76947053
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
4,4,4-trifluoro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]butanamide
CID 77099659
N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940428
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
CID 104982293
1-[3-(2-methoxyethoxy)propanoylamino]cycloheptane-1-carboxylic acid
CID 120539104
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
CID 76909881
1,1-diethyl-3-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]urea
CID 79161293
N-[1-[(Z)-N'-hydroxycarbamimidoyl]-4-methylcyclohexyl]butanamide
CID 61132988
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxythiophene-2-carboxamide
CID 81124116
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
[1-(3-methoxypropanoylamino)cyclohexyl] acetate
CID 142658561

Frequently Asked Questions

What is the IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide?
The IUPAC name of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide (CID 76946958) is N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide is COCCC(=O)NC1(C(N)=NO)CCCC1.
What is the InChIKey of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide?
The InChIKey is NBCCPNJYQDBLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-16-7-4-8(14)12-10(9(11)13-15)5-2-3-6-10/h15H,2-7H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide?
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide has a molecular weight of 229.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide is sourced from PubChem (CID 76946958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).