[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate

C19H29NO4 — CID 3968620

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate
SMILESCC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)NC1CCCC1
InChIInChI=1S/C19H29NO4/c1-12(16(21)20-15-4-2-3-5-15)24-17(22)18-7-13-6-14(8-18)10-19(23,9-13)11-18/h12-15,23H,2-11H2,1H3,(H,20,21)
InChIKeyIIWFLWWEORLBNB-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.31
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 3968620) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate
PubChem CID3968620
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate
SMILESCC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)NC1CCCC1
InChIInChI=1S/C19H29NO4/c1-12(16(21)20-15-4-2-3-5-15)24-17(22)18-7-13-6-14(8-18)10-19(23,9-13)11-18/h12-15,23H,2-11H2,1H3,(H,20,21)
InChIKeyIIWFLWWEORLBNB-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate (CID 3968620) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate is CC(OC(=O)C12CC3CC(CC(O)(C3)C1)C2)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is IIWFLWWEORLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-12(16(21)20-15-4-2-3-5-15)24-17(22)18-7-13-6-14(8-18)10-19(23,9-13)11-18/h12-15,23H,2-11H2,1H3,(H,20,21).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 335.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 3968620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).