2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid

C16H25NO2 — CID 64617514

IUPAC2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H25NO2/c18-15(19)4-14-8-17(9-14)10-16-5-11-1-12(6-16)3-13(2-11)7-16/h11-14H,1-10H2,(H,18,19)
InChIKeyISRSPTHLYWUDNN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds4

About 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid

2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid (PubChem CID 64617514) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
PubChem CID64617514
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H25NO2/c18-15(19)4-14-8-17(9-14)10-16-5-11-1-12(6-16)3-13(2-11)7-16/h11-14H,1-10H2,(H,18,19)
InChIKeyISRSPTHLYWUDNN-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantylmethyl)azetidin-3-ol
CID 63282389
2-[1-(1-adamantylmethyl)azetidin-3-yl]propanoic acid
CID 116684131
1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
CID 63030675
2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
CID 114799708
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid
CID 107324377
1-(1-adamantylmethyl)pyrrolidin-3-amine
CID 55029770
2-[1-(2,2-dimethylpropyl)azetidin-3-yl]acetic acid
CID 65069491
(3R)-1-(1-adamantylmethyl)piperidin-3-amine
CID 102984699
2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110
2-[1-(thiolan-3-ylmethyl)azetidin-3-yl]acetic acid
CID 107133710
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid (CID 64617514) is 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid?
The InChIKey is ISRSPTHLYWUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(19)4-14-8-17(9-14)10-16-5-11-1-12(6-16)3-13(2-11)7-16/h11-14H,1-10H2,(H,18,19).
What are the key properties of 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid?
2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid has a molecular weight of 263.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).