4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid

C14H26N2O4 — CID 122006951

IUPAC4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid
SMILESCCC1(CC)C(NC(=O)NCCCC(=O)O)CC1OC
InChIInChI=1S/C14H26N2O4/c1-4-14(5-2)10(9-11(14)20-3)16-13(19)15-8-6-7-12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKTFBHNXBCWOQNS-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds8

About 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid

4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid (PubChem CID 122006951) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid
PubChem CID122006951
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid
SMILESCCC1(CC)C(NC(=O)NCCCC(=O)O)CC1OC
InChIInChI=1S/C14H26N2O4/c1-4-14(5-2)10(9-11(14)20-3)16-13(19)15-8-6-7-12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyKTFBHNXBCWOQNS-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(2,2-diethyl-3-methoxycyclobutyl)propanamide
CID 119345408
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-1-hydroxycyclobutane-1-carboxamide
CID 99778007
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
N-(2,2-diethyl-3-methoxycyclobutyl)piperidine-4-carboxamide
CID 119345392
3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122010375
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol
CID 115929608
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
CID 119821940
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
4-[[(1R,2R)-2-ethoxycyclopentyl]carbamoylamino]butanoic acid
CID 122016980
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 79873494
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid (CID 122006951) is 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid is CCC1(CC)C(NC(=O)NCCCC(=O)O)CC1OC.
What is the InChIKey of 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid?
The InChIKey is KTFBHNXBCWOQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-14(5-2)10(9-11(14)20-3)16-13(19)15-8-6-7-12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid?
4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122006951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).