1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid

C16H25NO2 — CID 63030675

IUPAC1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H25NO2/c18-15(19)14-1-2-17(9-14)10-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14H,1-10H2,(H,18,19)
InChIKeyGKBYYEWDLQPDRV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds3

About 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid

1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63030675) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID63030675
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H25NO2/c18-15(19)14-1-2-17(9-14)10-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14H,1-10H2,(H,18,19)
InChIKeyGKBYYEWDLQPDRV-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid
CID 43441462
1-(1-adamantylmethyl)pyrrolidin-3-amine
CID 55029770
2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
CID 114799708
2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
CID 64617514
2-[1-(1-adamantylmethyl)azetidin-3-yl]propanoic acid
CID 116684131
1-(1-adamantylmethyl)azetidin-3-ol
CID 63282389
(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
(3R)-1-(1-adamantylmethyl)piperidin-3-amine
CID 102984699
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 99718207
1-(1-adamantylmethyl)-3-aminopyrrolidine-3-carboxylic acid
CID 107324377
1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol
CID 106837476

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid (CID 63030675) is 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GKBYYEWDLQPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(19)14-1-2-17(9-14)10-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14H,1-10H2,(H,18,19).
What are the key properties of 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid?
1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 263.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).