3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid

C15H27NO4 — CID 64514983

IUPAC3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(CC)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-6-11-8-9-15(10-11,12(17)18)16(7-2)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyYIIGXMZLQDTEEM-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.28
Rot. Bonds4

About 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid

3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64514983) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64514983
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(CC)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-6-11-8-9-15(10-11,12(17)18)16(7-2)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyYIIGXMZLQDTEEM-UHFFFAOYSA-N
XLogP3.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
CID 64515227
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 64515470
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-methylazepane-4-carboxylic acid
CID 65074907
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493
ethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 67155525
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4-dimethylcyclohexane-1-carboxylic acid
CID 64753944
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857394
tert-butyl N-[1-(2-aminoethyl)cyclopropyl]-N-ethylcarbamate
CID 84692072
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663418

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid (CID 64514983) is 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid is CCC1CCC(C(=O)O)(N(CC)C(=O)OC(C)(C)C)C1.
What is the InChIKey of 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YIIGXMZLQDTEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-11-8-9-15(10-11,12(17)18)16(7-2)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid?
3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64514983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).