2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid

C10H18N2O3 — CID 43569526

IUPAC2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCC(C1CC1)N(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(8-4-5-8)12(3)10(15)11(2)6-9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyKCSVNIQSVOELFR-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.85
Rot. Bonds4

About 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid

2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid (PubChem CID 43569526) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid
PubChem CID43569526
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid
SMILESCC(C1CC1)N(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(8-4-5-8)12(3)10(15)11(2)6-9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKeyKCSVNIQSVOELFR-UHFFFAOYSA-N
XLogP0.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid (CID 43569526) is 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid is CC(C1CC1)N(C)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is KCSVNIQSVOELFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8-4-5-8)12(3)10(15)11(2)6-9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid?
2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclopropylethyl(methyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 43569526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).