(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

C17H26N2O6 — CID 10861156

IUPAC(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(CC(=O)N1CCC[C@H]1C(=O)O)CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C17H26N2O6/c1-17(2,9-13(20)18-7-3-5-11(18)15(22)23)10-14(21)19-8-4-6-12(19)16(24)25/h11-12H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12-/m0/s1
InChIKeyIJZQUPSARFBEJV-RYUDHWBXSA-N
MW354.40 g/mol
LogP0.94
Rot. Bonds6

About (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10861156) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID10861156
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(CC(=O)N1CCC[C@H]1C(=O)O)CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C17H26N2O6/c1-17(2,9-13(20)18-7-3-5-11(18)15(22)23)10-14(21)19-8-4-6-12(19)16(24)25/h11-12H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12-/m0/s1
InChIKeyIJZQUPSARFBEJV-RYUDHWBXSA-N
XLogP0.94
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
1-(2-tert-butylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 43209800
(2S)-1-(2-tert-butylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 28777898
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-(3-methyl-3-phenylbutanoyl)piperidine-2-carboxylic acid
CID 119176322
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid (CID 10861156) is (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid is CC(C)(CC(=O)N1CCC[C@H]1C(=O)O)CC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IJZQUPSARFBEJV-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-17(2,9-13(20)18-7-3-5-11(18)15(22)23)10-14(21)19-8-4-6-12(19)16(24)25/h11-12H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 354.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10861156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).