1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid

C16H27NO4 — CID 64515227

IUPAC1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(C(=O)OC(C)(C)C)C2CC2)C1
InChIInChI=1S/C16H27NO4/c1-5-11-8-9-16(10-11,13(18)19)17(12-6-7-12)14(20)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyVKKAMFKUZOKVNQ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.42
Rot. Bonds4

About 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid

1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid (PubChem CID 64515227) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
PubChem CID64515227
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(N(C(=O)OC(C)(C)C)C2CC2)C1
InChIInChI=1S/C16H27NO4/c1-5-11-8-9-16(10-11,13(18)19)17(12-6-7-12)14(20)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyVKKAMFKUZOKVNQ-UHFFFAOYSA-N
XLogP3.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.42
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
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 64515470
chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 165439687
1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-hydroxycyclopentane-1-carboxylic acid
CID 69042568
1-[cyclopropyl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82238491
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 103857628
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
3-ethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 165470377
1-[butyl(cyclopropyl)amino]cyclopentane-1-carboxylic acid
CID 114995058
1-[cyclopropyl(ethyl)amino]cyclopentane-1-carboxylic acid
CID 82238498

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid (CID 64515227) is 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid is CCC1CCC(C(=O)O)(N(C(=O)OC(C)(C)C)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid?
The InChIKey is VKKAMFKUZOKVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-11-8-9-16(10-11,13(18)19)17(12-6-7-12)14(20)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid?
1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 64515227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).