methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate

C16H29NO4 — CID 123853008

IUPACmethyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate
SMILESCCC(CC)C(C)(NC(C)=O)C1CCC(C(=O)OC)C1O
InChIInChI=1S/C16H29NO4/c1-6-11(7-2)16(4,17-10(3)18)13-9-8-12(14(13)19)15(20)21-5/h11-14,19H,6-9H2,1-5H3,(H,17,18)
InChIKeyCUSWZFAQLAFRLJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.88
Rot. Bonds6

About methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate

methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate (PubChem CID 123853008) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate
PubChem CID123853008
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namemethyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate
SMILESCCC(CC)C(C)(NC(C)=O)C1CCC(C(=O)OC)C1O
InChIInChI=1S/C16H29NO4/c1-6-11(7-2)16(4,17-10(3)18)13-9-8-12(14(13)19)15(20)21-5/h11-14,19H,6-9H2,1-5H3,(H,17,18)
InChIKeyCUSWZFAQLAFRLJ-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate (CID 123853008) is methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate is CCC(CC)C(C)(NC(C)=O)C1CCC(C(=O)OC)C1O.
What is the InChIKey of methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is CUSWZFAQLAFRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-6-11(7-2)16(4,17-10(3)18)13-9-8-12(14(13)19)15(20)21-5/h11-14,19H,6-9H2,1-5H3,(H,17,18).
What are the key properties of methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate?
methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-acetamido-3-ethylpentan-2-yl)-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 123853008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).