N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide

C12H22N4O3 — CID 76924132

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
SMILESCCCC(C(=O)N(C)CC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C12H22N4O3/c1-3-4-9(11(13)15-19)12(18)16(2)7-10(17)14-8-5-6-8/h8-9,19H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyDUEDRTQCJLJGQR-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.11
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide (PubChem CID 76924132) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
PubChem CID76924132
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
SMILESCCCC(C(=O)N(C)CC(=O)NC1CC1)C(N)=NO
InChIInChI=1S/C12H22N4O3/c1-3-4-9(11(13)15-19)12(18)16(2)7-10(17)14-8-5-6-8/h8-9,19H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyDUEDRTQCJLJGQR-UHFFFAOYSA-N
XLogP-0.11
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.11
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

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694
N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
CID 63655155
N-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
CID 76944463
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 76924822
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
N-[2-(cyclopropylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76921536
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide (CID 76924132) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide is CCCC(C(=O)N(C)CC(=O)NC1CC1)C(N)=NO.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide?
The InChIKey is DUEDRTQCJLJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-3-4-9(11(13)15-19)12(18)16(2)7-10(17)14-8-5-6-8/h8-9,19H,3-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide has a molecular weight of 270.33 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide is sourced from PubChem (CID 76924132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).