[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate

C18H27NO3 — CID 7863390

IUPAC[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESC[C@H](NC(=O)COC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NO3/c1-11(19-16(20)10-22-17(21)15-2-3-15)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,2-10H2,1H3,(H,19,20)/t11-,12?,13?,14?,18?/m0/s1
InChIKeyBFAPTFJOKFCYBY-IWERZKIRSA-N
MW305.42 g/mol
LogP2.66
Rot. Bonds5

About [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7863390) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7863390
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESC[C@H](NC(=O)COC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NO3/c1-11(19-16(20)10-22-17(21)15-2-3-15)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,2-10H2,1H3,(H,19,20)/t11-,12?,13?,14?,18?/m0/s1
InChIKeyBFAPTFJOKFCYBY-IWERZKIRSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate (CID 7863390) is [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate is C[C@H](NC(=O)COC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is BFAPTFJOKFCYBY-IWERZKIRSA-N. The full InChI is InChI=1S/C18H27NO3/c1-11(19-16(20)10-22-17(21)15-2-3-15)18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15H,2-10H2,1H3,(H,19,20)/t11-,12?,13?,14?,18?/m0/s1.
What are the key properties of [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 305.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7863390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).