N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide

C7H14N4O2 — CID 76944463

IUPACN-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H14N4O2/c1-11(7(8)10-13)4-6(12)9-5-2-3-5/h5,13H,2-4H2,1H3,(H2,8,10)(H,9,12)
InChIKeyZVSOSHJUOXPKTF-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.10
Rot. Bonds3

About N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide

N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide (PubChem CID 76944463) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
PubChem CID76944463
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC NameN-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C7H14N4O2/c1-11(7(8)10-13)4-6(12)9-5-2-3-5/h5,13H,2-4H2,1H3,(H2,8,10)(H,9,12)
InChIKeyZVSOSHJUOXPKTF-UHFFFAOYSA-N
XLogP-1.10
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[2-(cyclopropylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76921536
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76924132
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79797261
2-[cyclopropylcarbamoyl(methyl)amino]acetamide
CID 115583065
N-cyclopropyl-2-[methoxy(methyl)amino]acetamide
CID 131224480

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide (CID 76944463) is N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide is CN(CC(=O)NC1CC1)C(N)=NO.
What is the InChIKey of N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide?
The InChIKey is ZVSOSHJUOXPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-11(7(8)10-13)4-6(12)9-5-2-3-5/h5,13H,2-4H2,1H3,(H2,8,10)(H,9,12).
What are the key properties of N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide?
N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide has a molecular weight of 186.21 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide is sourced from PubChem (CID 76944463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).