(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C16H23NO4 — CID 7129275

IUPAC(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO4/c18-12-4-13(14(19)20)17(8-12)15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,18H,1-8H2,(H,19,20)/t9?,10?,11?,12-,13+,16?/m0/s1
InChIKeyBRKBIWGWCNIXKI-UHUMYNAPSA-N
MW293.36 g/mol
LogP1.25
Rot. Bonds2

About (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 7129275) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID7129275
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO4/c18-12-4-13(14(19)20)17(8-12)15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,18H,1-8H2,(H,19,20)/t9?,10?,11?,12-,13+,16?/m0/s1
InChIKeyBRKBIWGWCNIXKI-UHUMYNAPSA-N
XLogP1.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 4857905
(2R,4R)-1-[1-(aminomethyl)cyclobutanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115448609
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81099267
(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115294948
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 42921290
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 55929552

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 7129275) is (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BRKBIWGWCNIXKI-UHUMYNAPSA-N. The full InChI is InChI=1S/C16H23NO4/c18-12-4-13(14(19)20)17(8-12)15(21)16-5-9-1-10(6-16)3-11(2-9)7-16/h9-13,18H,1-8H2,(H,19,20)/t9?,10?,11?,12-,13+,16?/m0/s1.
What are the key properties of (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7129275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).