(5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate

C16H27NO3 — CID 56801030

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate
SMILESCC1CCC(C(C)C)C(OC(=O)CNC(=O)C2CC2)C1
InChIInChI=1S/C16H27NO3/c1-10(2)13-7-4-11(3)8-14(13)20-15(18)9-17-16(19)12-5-6-12/h10-14H,4-9H2,1-3H3,(H,17,19)
InChIKeySXYSPAQGFFERFW-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.52
Rot. Bonds5

About (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate (PubChem CID 56801030) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate
PubChem CID56801030
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate
SMILESCC1CCC(C(C)C)C(OC(=O)CNC(=O)C2CC2)C1
InChIInChI=1S/C16H27NO3/c1-10(2)13-7-4-11(3)8-14(13)20-15(18)9-17-16(19)12-5-6-12/h10-14H,4-9H2,1-3H3,(H,17,19)
InChIKeySXYSPAQGFFERFW-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromoacetate
CID 172731984
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2,2-dihydroxyethylamino)acetate
CID 174500311
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-benzamidoacetate
CID 101139746
[(1S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxyacetate
CID 175905801
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-aminoacetate;hydrochloride
CID 67305263
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-hydroxybutanoate
CID 134294532
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
(5-methyl-2-propan-2-ylcyclohexyl) 3-(5-methyl-2-propan-2-ylcyclohexyl)butanoate
CID 23619357

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate (CID 56801030) is (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate is CC1CCC(C(C)C)C(OC(=O)CNC(=O)C2CC2)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate?
The InChIKey is SXYSPAQGFFERFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-10(2)13-7-4-11(3)8-14(13)20-15(18)9-17-16(19)12-5-6-12/h10-14H,4-9H2,1-3H3,(H,17,19).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate has a molecular weight of 281.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-(cyclopropanecarbonylamino)acetate is sourced from PubChem (CID 56801030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).