2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid

C14H22N2O4 — CID 104686399

IUPAC2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
SMILESCc1ccc(C(C)NC(=O)NCCCC(C)C(=O)O)o1
InChIInChI=1S/C14H22N2O4/c1-9(13(17)18)5-4-8-15-14(19)16-11(3)12-7-6-10(2)20-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyPVUVZHFWGICFAC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.45
Rot. Bonds7

About 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid

2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 104686399) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID104686399
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
SMILESCc1ccc(C(C)NC(=O)NCCCC(C)C(=O)O)o1
InChIInChI=1S/C14H22N2O4/c1-9(13(17)18)5-4-8-15-14(19)16-11(3)12-7-6-10(2)20-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyPVUVZHFWGICFAC-UHFFFAOYSA-N
XLogP2.45
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic 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

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
CID 61478894
2-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 104686435
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-methyl-5-(1-thiophen-2-ylethylcarbamoylamino)pentanoic acid
CID 104686244
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 61478645
5-[1-(2-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686419
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 86993780
5-[1-(3-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid (CID 104686399) is 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid is Cc1ccc(C(C)NC(=O)NCCCC(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is PVUVZHFWGICFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(13(17)18)5-4-8-15-14(19)16-11(3)12-7-6-10(2)20-12/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid?
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 104686399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).