2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide

C11H22N4O2 — CID 116652580

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)C(CN)C1CC1
InChIInChI=1S/C11H22N4O2/c1-7(10(16)14-11(17)13-2)15(3)9(6-12)8-4-5-8/h7-9H,4-6,12H2,1-3H3,(H2,13,14,16,17)
InChIKeyLKGQNPQYMQLNCD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.50
Rot. Bonds5

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 116652580) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID116652580
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)C(CN)C1CC1
InChIInChI=1S/C11H22N4O2/c1-7(10(16)14-11(17)13-2)15(3)9(6-12)8-4-5-8/h7-9H,4-6,12H2,1-3H3,(H2,13,14,16,17)
InChIKeyLKGQNPQYMQLNCD-UHFFFAOYSA-N
XLogP-0.50
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-butan-2-ylpropanamide
CID 116652512
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-phenylpropanamide
CID 116653105
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 104554164
1-cyclopropyl-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 43654990
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[1-cyclopropylethyl(methyl)amino]-N-(ethylcarbamoyl)propanamide
CID 78844134
2-[cyclopropyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945067
2-[(2-amino-1-cyclopropylethyl)-methylamino]butanamide
CID 116653046
N-(methylcarbamoyl)-2-[methyl-(4-oxocyclohexyl)amino]propanamide
CID 79120588
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 102870196
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide (CID 116652580) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is LKGQNPQYMQLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-7(10(16)14-11(17)13-2)15(3)9(6-12)8-4-5-8/h7-9H,4-6,12H2,1-3H3,(H2,13,14,16,17).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 116652580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).