tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate

C20H35NO3 — CID 163599246

IUPACtert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate
SMILESCCCC(CC1(C(=O)NC2C[C@H]2C)CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H35NO3/c1-6-9-15(17(22)24-19(3,4)5)13-20(10-7-8-11-20)18(23)21-16-12-14(16)2/h14-16H,6-13H2,1-5H3,(H,21,23)/t14-,15?,16?/m1/s1
InChIKeyGWEIAVJQZYUZAE-QQFBHYJXSA-N
MW337.50 g/mol
LogP4.22
Rot. Bonds7

About tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate

tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate (PubChem CID 163599246) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate.

Molecular Properties

Compound Nametert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate
PubChem CID163599246
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Nametert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate
SMILESCCCC(CC1(C(=O)NC2C[C@H]2C)CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H35NO3/c1-6-9-15(17(22)24-19(3,4)5)13-20(10-7-8-11-20)18(23)21-16-12-14(16)2/h14-16H,6-13H2,1-5H3,(H,21,23)/t14-,15?,16?/m1/s1
InChIKeyGWEIAVJQZYUZAE-QQFBHYJXSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate?
The IUPAC name of tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate (CID 163599246) is tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate.
What is the SMILES notation for tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate?
The canonical SMILES for tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate is CCCC(CC1(C(=O)NC2C[C@H]2C)CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate?
The InChIKey is GWEIAVJQZYUZAE-QQFBHYJXSA-N. The full InChI is InChI=1S/C20H35NO3/c1-6-9-15(17(22)24-19(3,4)5)13-20(10-7-8-11-20)18(23)21-16-12-14(16)2/h14-16H,6-13H2,1-5H3,(H,21,23)/t14-,15?,16?/m1/s1.
What are the key properties of tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate?
tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate has a molecular weight of 337.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-[[(2R)-2-methylcyclopropyl]carbamoyl]cyclopentyl]methyl]pentanoate is sourced from PubChem (CID 163599246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).