2-(propoxycarbonylamino)propanoic acid

C7H13NO4 — CID 139616437

IUPAC2-(propoxycarbonylamino)propanoic acid
SMILESCCCOC(=O)NC(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-4-12-7(11)8-5(2)6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyRVTHGHBYDBUCEL-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.60
Rot. Bonds4

About 2-(propoxycarbonylamino)propanoic acid

2-(propoxycarbonylamino)propanoic acid (PubChem CID 139616437) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(propoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(propoxycarbonylamino)propanoic acid
PubChem CID139616437
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-(propoxycarbonylamino)propanoic acid
SMILESCCCOC(=O)NC(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-4-12-7(11)8-5(2)6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyRVTHGHBYDBUCEL-UHFFFAOYSA-N
XLogP0.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(propoxycarbonylamino)propanoic acid 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

CID 10942966
CID 10942966
CID 85082
CID 85082
CID 79996
CID 79996
CID 98766
CID 98766
CID 268471
CID 268471
CID 1810758
CID 1810758
CID 96472
CID 96472
CID 637603
CID 637603
CID 637606
CID 637606
CID 294907
CID 294907
CID 13105160
CID 13105160
CID 13821101
CID 13821101

Frequently Asked Questions

What is the IUPAC name of 2-(propoxycarbonylamino)propanoic acid?
The IUPAC name of 2-(propoxycarbonylamino)propanoic acid (CID 139616437) is 2-(propoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-(propoxycarbonylamino)propanoic acid?
The canonical SMILES for 2-(propoxycarbonylamino)propanoic acid is CCCOC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(propoxycarbonylamino)propanoic acid?
The InChIKey is RVTHGHBYDBUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-4-12-7(11)8-5(2)6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10).
What are the key properties of 2-(propoxycarbonylamino)propanoic acid?
2-(propoxycarbonylamino)propanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxycarbonylamino)propanoic acid is sourced from PubChem (CID 139616437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).