4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid

C14H26N2O3 — CID 43473494

IUPAC4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCCN(C(=O)CNCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-16(12-7-4-3-5-8-12)13(17)11-15-10-6-9-14(18)19/h12,15H,2-11H2,1H3,(H,18,19)
InChIKeyJYRKBBOPBCPOJJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.62
Rot. Bonds8

About 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid

4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid (PubChem CID 43473494) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
PubChem CID43473494
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCCN(C(=O)CNCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-2-16(12-7-4-3-5-8-12)13(17)11-15-10-6-9-14(18)19/h12,15H,2-11H2,1H3,(H,18,19)
InChIKeyJYRKBBOPBCPOJJ-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 112685323
4-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]carbamoylamino]butanoic acid
CID 122005059
N-cyclopentyl-N-ethyl-3-(ethylamino)propanamide
CID 62831926
N-cyclopropyl-N-ethyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 112685260
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
N-cyclopropyl-2-(2-ethoxyethylamino)-N-ethylacetamide
CID 60976287
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid (CID 43473494) is 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid is CCN(C(=O)CNCCCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid?
The InChIKey is JYRKBBOPBCPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-16(12-7-4-3-5-8-12)13(17)11-15-10-6-9-14(18)19/h12,15H,2-11H2,1H3,(H,18,19).
What are the key properties of 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid?
4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 43473494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).