(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid

C13H14N2O2 — CID 67713185

IUPAC(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2c[nH]c3ccccc23)CCCN1
InChIInChI=1S/C13H14N2O2/c16-12(17)13(6-3-7-15-13)10-8-14-11-5-2-1-4-9(10)11/h1-2,4-5,8,14-15H,3,6-7H2,(H,16,17)/t13-/m0/s1
InChIKeyADNXFFWEAZNMHD-ZDUSSCGKSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds2

About (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid

(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 67713185) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID67713185
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2c[nH]c3ccccc23)CCCN1
InChIInChI=1S/C13H14N2O2/c16-12(17)13(6-3-7-15-13)10-8-14-11-5-2-1-4-9(10)11/h1-2,4-5,8,14-15H,3,6-7H2,(H,16,17)/t13-/m0/s1
InChIKeyADNXFFWEAZNMHD-ZDUSSCGKSA-N
XLogP1.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(1H-indol-3-yl)pyrrolidine-2-carboxylate
CID 57241004
2-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 70486714
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
2-ethyl-1-(1H-indol-3-yl)cyclohexane-1-carboxamide
CID 67283773
1-amino-2-(1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 91316564
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
1-[(1H-indole-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid (CID 67713185) is (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@]1(c2c[nH]c3ccccc23)CCCN1.
What is the InChIKey of (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ADNXFFWEAZNMHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12(17)13(6-3-7-15-13)10-8-14-11-5-2-1-4-9(10)11/h1-2,4-5,8,14-15H,3,6-7H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid?
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67713185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).