[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate

C19H29NO3 — CID 8020130

IUPAC[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESC[C@H](OC(=O)C1CCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO3/c1-12(23-18(22)16-4-2-3-5-16)17(21)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16H,2-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyVQYQXPGMQRDZNH-UHSVVUDUSA-N
MW319.45 g/mol
LogP3.19
Rot. Bonds4

About [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate

[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate (PubChem CID 8020130) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
PubChem CID8020130
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
SMILESC[C@H](OC(=O)C1CCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H29NO3/c1-12(23-18(22)16-4-2-3-5-16)17(21)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16H,2-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyVQYQXPGMQRDZNH-UHSVVUDUSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 30803642
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 9487760
[(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate
CID 9487762
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635279
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950815
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972027
4-O-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1-O-ethyl (E)-but-2-enedioate
CID 7851689
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7789451
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 42902130
(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 29201327
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507732

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The IUPAC name of [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate (CID 8020130) is [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate.
What is the SMILES notation for [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The canonical SMILES for [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate is C[C@H](OC(=O)C1CCCC1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
The InChIKey is VQYQXPGMQRDZNH-UHSVVUDUSA-N. The full InChI is InChI=1S/C19H29NO3/c1-12(23-18(22)16-4-2-3-5-16)17(21)20-19-9-13-6-14(10-19)8-15(7-13)11-19/h12-16H,2-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,19?/m0/s1.
What are the key properties of [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate?
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate has a molecular weight of 319.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate is sourced from PubChem (CID 8020130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).