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

C16H23NO4 — CID 81099267

IUPAC(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23NO4/c18-12-6-13(16(20)21)17(7-12)15(19)14-10-2-8-1-9(4-10)5-11(14)3-8/h8-14,18H,1-7H2,(H,20,21)/t8?,9?,10?,11?,12-,13+,14?/m1/s1
InChIKeyUJPXSWCFOOHMLD-DHDOXOPMSA-N
MW293.36 g/mol
LogP1.11
Rot. Bonds2

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

(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 81099267) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID81099267
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H23NO4/c18-12-6-13(16(20)21)17(7-12)15(19)14-10-2-8-1-9(4-10)5-11(14)3-8/h8-14,18H,1-7H2,(H,20,21)/t8?,9?,10?,11?,12-,13+,14?/m1/s1
InChIKeyUJPXSWCFOOHMLD-DHDOXOPMSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2R,4S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 7129275
(2S,4S)-1-(2-bicyclo[2.2.1]heptanylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713957
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
4-hydroxy-1-propanethioylpyrrolidine-2-carboxylic acid
CID 20648963
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 81099267) is (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UJPXSWCFOOHMLD-DHDOXOPMSA-N. The full InChI is InChI=1S/C16H23NO4/c18-12-6-13(16(20)21)17(7-12)15(19)14-10-2-8-1-9(4-10)5-11(14)3-8/h8-14,18H,1-7H2,(H,20,21)/t8?,9?,10?,11?,12-,13+,14?/m1/s1.
What are the key properties of (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(adamantane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81099267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).