(2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid

C7H12N2O4 — CID 67493726

IUPAC(2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CNN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O4/c10-6(11)4-8-9-3-1-2-5(9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyQWSMJGUJSPFBII-YFKPBYRVSA-N
MW188.18 g/mol
LogP-0.88
Rot. Bonds4

About (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid

(2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid (PubChem CID 67493726) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid
PubChem CID67493726
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid
SMILESO=C(O)CNN1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12N2O4/c10-6(11)4-8-9-3-1-2-5(9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyQWSMJGUJSPFBII-YFKPBYRVSA-N
XLogP-0.88
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid (CID 67493726) is (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid is O=C(O)CNN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid?
The InChIKey is QWSMJGUJSPFBII-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-6(11)4-8-9-3-1-2-5(9)7(12)13/h5,8H,1-4H2,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid?
(2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid has a molecular weight of 188.18 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(carboxymethylamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67493726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).