7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid

C13H25N3O4 — CID 61202867

IUPAC7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
SMILESCCCNC(=O)CNC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-2-8-14-11(17)10-16-13(20)15-9-6-4-3-5-7-12(18)19/h2-10H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyOWMBXCFWMZZRFK-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.85
Rot. Bonds11

About 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid

7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid (PubChem CID 61202867) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
PubChem CID61202867
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
SMILESCCCNC(=O)CNC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-2-8-14-11(17)10-16-13(20)15-9-6-4-3-5-7-12(18)19/h2-10H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyOWMBXCFWMZZRFK-UHFFFAOYSA-N
XLogP0.85
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic 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

7-(butylcarbamoylamino)heptanoic acid
CID 28786256
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
6-[(2-acetamidoacetyl)amino]hexanoic acid
CID 24693828
16-(butanoylamino)hexadecanoic acid
CID 118711043
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
4-[5-(carboxymethylcarbamoylamino)pentylamino]-4-oxobutanoic acid
CID 144662946
2-(heptylcarbamoylamino)acetic acid
CID 43129060
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103

Frequently Asked Questions

What is the IUPAC name of 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid?
The IUPAC name of 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid (CID 61202867) is 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid.
What is the SMILES notation for 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid?
The canonical SMILES for 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid is CCCNC(=O)CNC(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid?
The InChIKey is OWMBXCFWMZZRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-2-8-14-11(17)10-16-13(20)15-9-6-4-3-5-7-12(18)19/h2-10H2,1H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid?
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.85, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid is sourced from PubChem (CID 61202867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).