(1-methylcyclopropyl) 2-aminoacetate

C6H11NO2 — CID 54107450

IUPAC(1-methylcyclopropyl) 2-aminoacetate
SMILESCC1(OC(=O)CN)CC1
InChIInChI=1S/C6H11NO2/c1-6(2-3-6)9-5(8)4-7/h2-4,7H2,1H3
InChIKeyNETLIGUPNDYXHT-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.04
Rot. Bonds2

About (1-methylcyclopropyl) 2-aminoacetate

(1-methylcyclopropyl) 2-aminoacetate (PubChem CID 54107450) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (1-methylcyclopropyl) 2-aminoacetate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 2-aminoacetate
PubChem CID54107450
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(1-methylcyclopropyl) 2-aminoacetate
SMILESCC1(OC(=O)CN)CC1
InChIInChI=1S/C6H11NO2/c1-6(2-3-6)9-5(8)4-7/h2-4,7H2,1H3
InChIKeyNETLIGUPNDYXHT-UHFFFAOYSA-N
XLogP0.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 2-aminoacetate?
The IUPAC name of (1-methylcyclopropyl) 2-aminoacetate (CID 54107450) is (1-methylcyclopropyl) 2-aminoacetate.
What is the SMILES notation for (1-methylcyclopropyl) 2-aminoacetate?
The canonical SMILES for (1-methylcyclopropyl) 2-aminoacetate is CC1(OC(=O)CN)CC1.
What is the InChIKey of (1-methylcyclopropyl) 2-aminoacetate?
The InChIKey is NETLIGUPNDYXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2-3-6)9-5(8)4-7/h2-4,7H2,1H3.
What are the key properties of (1-methylcyclopropyl) 2-aminoacetate?
(1-methylcyclopropyl) 2-aminoacetate has a molecular weight of 129.16 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 2-aminoacetate is sourced from PubChem (CID 54107450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).