4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid

C15H30N2O4 — CID 64604491

IUPAC4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)NC(C)CCOC)CCC(=O)O
InChIInChI=1S/C15H30N2O4/c1-4-5-13(6-7-14(18)19)8-10-16-15(20)17-12(2)9-11-21-3/h12-13H,4-11H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyHQXGURWPUXUOOC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds12

About 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid

4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid (PubChem CID 64604491) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
PubChem CID64604491
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
SMILESCCCC(CCNC(=O)NC(C)CCOC)CCC(=O)O
InChIInChI=1S/C15H30N2O4/c1-4-5-13(6-7-14(18)19)8-10-16-15(20)17-12(2)9-11-21-3/h12-13H,4-11H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyHQXGURWPUXUOOC-UHFFFAOYSA-N
XLogP2.38
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]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

3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
CID 64604896
4-[2-[2-(carbamoylamino)ethylcarbamoylamino]ethyl]heptanoic acid
CID 83113037
4-[2-(2,2-difluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 113303947
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]heptanoic acid
CID 64894801
4-[2-[2-(aminomethyl)pentanoylamino]ethyl]heptanoic acid
CID 65228716
4-[2-(but-2-ynoylamino)ethyl]heptanoic acid
CID 107986729
4-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]heptanoic acid
CID 65459094
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid?
The IUPAC name of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid (CID 64604491) is 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid.
What is the SMILES notation for 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid?
The canonical SMILES for 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid is CCCC(CCNC(=O)NC(C)CCOC)CCC(=O)O.
What is the InChIKey of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid?
The InChIKey is HQXGURWPUXUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-4-5-13(6-7-14(18)19)8-10-16-15(20)17-12(2)9-11-21-3/h12-13H,4-11H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid?
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.38, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid is sourced from PubChem (CID 64604491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).