N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide

C7H13N3O2 — CID 114616996

IUPACN-carbamoyl-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)NC(N)=O
InChIInChI=1S/C7H13N3O2/c1-5(2)3-9-4-6(11)10-7(8)12/h9H,1,3-4H2,2H3,(H3,8,10,11,12)
InChIKeyZQHSBYDLZADRBR-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.65
Rot. Bonds4

About N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide

N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide (PubChem CID 114616996) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-methylprop-2-enylamino)acetamide
PubChem CID114616996
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-carbamoyl-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)NC(N)=O
InChIInChI=1S/C7H13N3O2/c1-5(2)3-9-4-6(11)10-7(8)12/h9H,1,3-4H2,2H3,(H3,8,10,11,12)
InChIKeyZQHSBYDLZADRBR-UHFFFAOYSA-N
XLogP-0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide?
The IUPAC name of N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide (CID 114616996) is N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide?
The canonical SMILES for N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide is C=C(C)CNCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide?
The InChIKey is ZQHSBYDLZADRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(2)3-9-4-6(11)10-7(8)12/h9H,1,3-4H2,2H3,(H3,8,10,11,12).
What are the key properties of N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide?
N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide has a molecular weight of 171.20 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-methylprop-2-enylamino)acetamide is sourced from PubChem (CID 114616996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).