2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid

C11H19N3O4 — CID 43656118

IUPAC2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid
SMILESCNC(=O)CN(C)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H19N3O4/c1-12-9(15)6-13(2)11(18)14(7-10(16)17)5-8-3-4-8/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyQRIMDKKBEGVOEO-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.42
Rot. Bonds6

About 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid

2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid (PubChem CID 43656118) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid
PubChem CID43656118
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid
SMILESCNC(=O)CN(C)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H19N3O4/c1-12-9(15)6-13(2)11(18)14(7-10(16)17)5-8-3-4-8/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyQRIMDKKBEGVOEO-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid (CID 43656118) is 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid is CNC(=O)CN(C)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid?
The InChIKey is QRIMDKKBEGVOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-9(15)6-13(2)11(18)14(7-10(16)17)5-8-3-4-8/h8H,3-7H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid?
2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 43656118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).