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

C16H29NO4 — CID 64515470

IUPAC3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C16H29NO4/c1-7-12-8-9-16(10-12,13(18)19)17(11(2)3)14(20)21-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,18,19)
InChIKeyINLYSDCBECPNIR-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.67
Rot. Bonds4

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

3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid (PubChem CID 64515470) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid
PubChem CID64515470
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(C(=O)OC(C)(C)C)C(C)C)C1
InChIInChI=1S/C16H29NO4/c1-7-12-8-9-16(10-12,13(18)19)17(11(2)3)14(20)21-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,18,19)
InChIKeyINLYSDCBECPNIR-UHFFFAOYSA-N
XLogP3.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 64514983
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
CID 64515227
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82238491
3-ethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 165470377
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-methylazepane-4-carboxylic acid
CID 65074907
tert-butyl hydrogen carbonate;ethylcycloheptane
CID 175418399
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 103857628
(2S)-2-[[(1R)-2,2-dimethylcyclopropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 70831421
tert-butyl N-ethyl-N-[1-(hydroxymethyl)cyclobutyl]carbamate
CID 171784493

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid (CID 64515470) is 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid is CCC1CCC(C(=O)O)(N(C(=O)OC(C)(C)C)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid?
The InChIKey is INLYSDCBECPNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-7-12-8-9-16(10-12,13(18)19)17(11(2)3)14(20)21-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,18,19).
What are the key properties of 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid?
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64515470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).