(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride

C6H13ClN2O2 — CID 75176263

IUPAC(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.NC[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H12N2O2.ClH/c7-2-4-1-5(6(9)10)8-3-4;/h4-5,8H,1-3,7H2,(H,9,10);1H/t4-,5+;/m1./s1
InChIKeyURHXNVAYWJMFNS-JBUOLDKXSA-N
MW180.63 g/mol
LogP-0.57
Rot. Bonds2

About (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 75176263) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID75176263
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.NC[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H12N2O2.ClH/c7-2-4-1-5(6(9)10)8-3-4;/h4-5,8H,1-3,7H2,(H,9,10);1H/t4-,5+;/m1./s1
InChIKeyURHXNVAYWJMFNS-JBUOLDKXSA-N
XLogP-0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 75176263) is (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cl.NC[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is URHXNVAYWJMFNS-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c7-2-4-1-5(6(9)10)8-3-4;/h4-5,8H,1-3,7H2,(H,9,10);1H/t4-,5+;/m1./s1.
What are the key properties of (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 75176263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).