(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride

C8H15ClN2O3 — CID 12718469

IUPAC(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4,9H2,1H3,(H,12,13);1H/t5-,6-;/m0./s1
InChIKeyCPWJBBHGBMGZAE-GEMLJDPKSA-N
MW222.67 g/mol
LogP-0.17
Rot. Bonds2

About (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 12718469) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID12718469
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC Name(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4,9H2,1H3,(H,12,13);1H/t5-,6-;/m0./s1
InChIKeyCPWJBBHGBMGZAE-GEMLJDPKSA-N
XLogP-0.17
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955
(2S)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylic acid
CID 10845919
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-(2,3-dihydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 56605024

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 12718469) is (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride is C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.Cl.
What is the InChIKey of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is CPWJBBHGBMGZAE-GEMLJDPKSA-N. The full InChI is InChI=1S/C8H14N2O3.ClH/c1-5(9)7(11)10-4-2-3-6(10)8(12)13;/h5-6H,2-4,9H2,1H3,(H,12,13);1H/t5-,6-;/m0./s1.
What are the key properties of (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 222.67 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 12718469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).