2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid

C17H25NO3 — CID 81099407

IUPAC2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C17H25NO3/c19-15(20)8-10-1-2-18(9-10)17(21)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-14,16H,1-9H2,(H,19,20)
InChIKeyNYRZCTZOBNOGRV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.38
Rot. Bonds3

About 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 81099407) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID81099407
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C17H25NO3/c19-15(20)8-10-1-2-18(9-10)17(21)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-14,16H,1-9H2,(H,19,20)
InChIKeyNYRZCTZOBNOGRV-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71683274
2-adamantyl-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 102961323
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 66468802
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562542
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
2-[1-(5-oxopyrrolidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192170
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605196
1-[4-(adamantane-2-carbonyl)piperazin-1-yl]ethanone
CID 4786894

Frequently Asked Questions

What is the IUPAC name of 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid (CID 81099407) is 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is NYRZCTZOBNOGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-15(20)8-10-1-2-18(9-10)17(21)16-13-4-11-3-12(6-13)7-14(16)5-11/h10-14,16H,1-9H2,(H,19,20).
What are the key properties of 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(adamantane-2-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 81099407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).