(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid

C8H13NO4 — CID 101341979

IUPAC(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C8H13NO4/c1-4(7(10)11)5-2-3-6(9-5)8(12)13/h4-6,9H,2-3H2,1H3,(H,10,11)(H,12,13)/t4?,5-,6-/m0/s1
InChIKeyUZUGZDKTNOOPEL-VZLNHYCJSA-N
MW187.19 g/mol
LogP-0.09
Rot. Bonds3

About (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid

(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 101341979) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID101341979
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
SMILESCC(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C8H13NO4/c1-4(7(10)11)5-2-3-6(9-5)8(12)13/h4-6,9H,2-3H2,1H3,(H,10,11)(H,12,13)/t4?,5-,6-/m0/s1
InChIKeyUZUGZDKTNOOPEL-VZLNHYCJSA-N
XLogP-0.09
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
(2R,5R)-5-[1-(ethynoxyamino)ethyl]pyrrolidine-2-carboxylic acid
CID 59911159
(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
CID 50919304
2-methyl-1-(5-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 129290042
(2S,5S)-5-prop-1-enylpyrrolidine-2-carboxylic acid
CID 177295796
5-(propan-2-yloxymethyl)pyrrolidine-2-carboxylic acid
CID 112574811
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
bis((2S,5S)-5-hydroxypyrrolidine-2-carboxylic acid);silver
CID 50897483
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid (CID 101341979) is (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid is CC(C(=O)O)[C@@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UZUGZDKTNOOPEL-VZLNHYCJSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4(7(10)11)5-2-3-6(9-5)8(12)13/h4-6,9H,2-3H2,1H3,(H,10,11)(H,12,13)/t4?,5-,6-/m0/s1.
What are the key properties of (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid?
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 101341979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).