propyl 2-(2-methylpropoxycarbonylamino)acetate

C10H19NO4 — CID 6422792

IUPACpropyl 2-(2-methylpropoxycarbonylamino)acetate
SMILESCCCOC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C10H19NO4/c1-4-5-14-9(12)6-11-10(13)15-7-8(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyLTIAARDVCYANFT-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.32
Rot. Bonds6

About propyl 2-(2-methylpropoxycarbonylamino)acetate

propyl 2-(2-methylpropoxycarbonylamino)acetate (PubChem CID 6422792) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is propyl 2-(2-methylpropoxycarbonylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(2-methylpropoxycarbonylamino)acetate
PubChem CID6422792
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepropyl 2-(2-methylpropoxycarbonylamino)acetate
SMILESCCCOC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C10H19NO4/c1-4-5-14-9(12)6-11-10(13)15-7-8(2)3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyLTIAARDVCYANFT-UHFFFAOYSA-N
XLogP1.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 2-(2-methylpropoxycarbonylamino)acetate with MolForge

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

Launch Full Analysis

Related Compounds

butyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422793
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
propyl N-(2-methylpropyl)carbamate
CID 91192078
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
ethane;propyl 2-(propan-2-ylamino)acetate
CID 158517744

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-methylpropoxycarbonylamino)acetate?
The IUPAC name of propyl 2-(2-methylpropoxycarbonylamino)acetate (CID 6422792) is propyl 2-(2-methylpropoxycarbonylamino)acetate.
What is the SMILES notation for propyl 2-(2-methylpropoxycarbonylamino)acetate?
The canonical SMILES for propyl 2-(2-methylpropoxycarbonylamino)acetate is CCCOC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of propyl 2-(2-methylpropoxycarbonylamino)acetate?
The InChIKey is LTIAARDVCYANFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-5-14-9(12)6-11-10(13)15-7-8(2)3/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of propyl 2-(2-methylpropoxycarbonylamino)acetate?
propyl 2-(2-methylpropoxycarbonylamino)acetate has a molecular weight of 217.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-methylpropoxycarbonylamino)acetate is sourced from PubChem (CID 6422792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).