butyl 2-(2-methylpropoxycarbonylamino)acetate

C11H21NO4 — CID 6422793

IUPACbutyl 2-(2-methylpropoxycarbonylamino)acetate
SMILESCCCCOC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H21NO4/c1-4-5-6-15-10(13)7-12-11(14)16-8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyKDOAAFMCLCXPNZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.71
Rot. Bonds7

About butyl 2-(2-methylpropoxycarbonylamino)acetate

butyl 2-(2-methylpropoxycarbonylamino)acetate (PubChem CID 6422793) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is butyl 2-(2-methylpropoxycarbonylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(2-methylpropoxycarbonylamino)acetate
PubChem CID6422793
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namebutyl 2-(2-methylpropoxycarbonylamino)acetate
SMILESCCCCOC(=O)CNC(=O)OCC(C)C
InChIInChI=1S/C11H21NO4/c1-4-5-6-15-10(13)7-12-11(14)16-8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyKDOAAFMCLCXPNZ-UHFFFAOYSA-N
XLogP1.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 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

propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
1-O-butyl 5-O-(2-methylpropyl) 3-methylpentanedioate
CID 139971649
butyl 2-[(2-amino-4-methylpentanoyl)amino]acetate
CID 167423962
2-methylpropyl 6-(butoxycarbonylamino)hexanoate
CID 91734843
butyl (2S)-4-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 20837426

Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-methylpropoxycarbonylamino)acetate?
The IUPAC name of butyl 2-(2-methylpropoxycarbonylamino)acetate (CID 6422793) is butyl 2-(2-methylpropoxycarbonylamino)acetate.
What is the SMILES notation for butyl 2-(2-methylpropoxycarbonylamino)acetate?
The canonical SMILES for butyl 2-(2-methylpropoxycarbonylamino)acetate is CCCCOC(=O)CNC(=O)OCC(C)C.
What is the InChIKey of butyl 2-(2-methylpropoxycarbonylamino)acetate?
The InChIKey is KDOAAFMCLCXPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-5-6-15-10(13)7-12-11(14)16-8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of butyl 2-(2-methylpropoxycarbonylamino)acetate?
butyl 2-(2-methylpropoxycarbonylamino)acetate has a molecular weight of 231.29 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-methylpropoxycarbonylamino)acetate is sourced from PubChem (CID 6422793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).