(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid

C16H26N2O5 — CID 150619819

IUPAC(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CCCCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H26N2O5/c19-14(18-11-5-7-13(18)16(22)23)8-2-1-3-9-17-10-4-6-12(17)15(20)21/h12-13H,1-11H2,(H,20,21)(H,22,23)/t12-,13-/m1/s1
InChIKeyIVQVWWQRVHACMG-CHWSQXEVSA-N
MW326.39 g/mol
LogP1.17
Rot. Bonds8

About (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid

(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid (PubChem CID 150619819) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
PubChem CID150619819
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1CCCCCC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C16H26N2O5/c19-14(18-11-5-7-13(18)16(22)23)8-2-1-3-9-17-10-4-6-12(17)15(20)21/h12-13H,1-11H2,(H,20,21)(H,22,23)/t12-,13-/m1/s1
InChIKeyIVQVWWQRVHACMG-CHWSQXEVSA-N
XLogP1.17
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[10-[(2R)-2-carboxypyrrolidin-1-yl]-9,10-dioxodecyl]pyrrolidine-2-carboxylic acid
CID 90757366
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
CID 160598111
CID 160598111
(2S)-1-(14-deuteriotetradecanoyl)pyrrolidine-2-carboxylic acid
CID 139795188
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
1-decanoylazepane-2-carboxylic acid
CID 64558604
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid (CID 150619819) is (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1CCCCCC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IVQVWWQRVHACMG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H26N2O5/c19-14(18-11-5-7-13(18)16(22)23)8-2-1-3-9-17-10-4-6-12(17)15(20)21/h12-13H,1-11H2,(H,20,21)(H,22,23)/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 150619819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).