2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid

C19H29NO3 — CID 24947239

IUPAC2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C19H29NO3/c21-16(10-19(11-17(22)23)3-1-2-4-19)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18H,1-11H2,(H,20,21)(H,22,23)
InChIKeyMRMPTTXBWQBPKX-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.35
Rot. Bonds5

About 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 24947239) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID24947239
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1
InChIInChI=1S/C19H29NO3/c21-16(10-19(11-17(22)23)3-1-2-4-19)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18H,1-11H2,(H,20,21)(H,22,23)
InChIKeyMRMPTTXBWQBPKX-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 24947239) is 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NC2C3CC4CC(C3)CC2C4)CCCC1.
What is the InChIKey of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is MRMPTTXBWQBPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-16(10-19(11-17(22)23)3-1-2-4-19)20-18-14-6-12-5-13(8-14)9-15(18)7-12/h12-15,18H,1-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 319.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-adamantylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 24947239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).