(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride

C9H17ClN2O3 — CID 68538859

IUPAC(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1C[C@H](CNC2CC2)[C@@H](O)C1
InChIInChI=1S/C9H16N2O3.ClH/c12-8-5-11(9(13)14)4-6(8)3-10-7-1-2-7;/h6-8,10,12H,1-5H2,(H,13,14);1H/t6-,8-;/m0./s1
InChIKeyHQOZHAYYZUJHEX-QMGYSKNISA-N
MW236.70 g/mol
LogP0.13
Rot. Bonds3

About (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride

(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride (PubChem CID 68538859) has the molecular formula C9H17ClN2O3 and a molecular weight of 236.70 g/mol. Its IUPAC name is (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
PubChem CID68538859
Molecular FormulaC9H17ClN2O3
Molecular Weight236.70 g/mol
Exact Mass236.09
IUPAC Name(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)N1C[C@H](CNC2CC2)[C@@H](O)C1
InChIInChI=1S/C9H16N2O3.ClH/c12-8-5-11(9(13)14)4-6(8)3-10-7-1-2-7;/h6-8,10,12H,1-5H2,(H,13,14);1H/t6-,8-;/m0./s1
InChIKeyHQOZHAYYZUJHEX-QMGYSKNISA-N
XLogP0.13
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride?
The IUPAC name of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride (CID 68538859) is (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride is Cl.O=C(O)N1C[C@H](CNC2CC2)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride?
The InChIKey is HQOZHAYYZUJHEX-QMGYSKNISA-N. The full InChI is InChI=1S/C9H16N2O3.ClH/c12-8-5-11(9(13)14)4-6(8)3-10-7-1-2-7;/h6-8,10,12H,1-5H2,(H,13,14);1H/t6-,8-;/m0./s1.
What are the key properties of (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride?
(3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(cyclopropylamino)methyl]-4-hydroxypyrrolidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 68538859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).