(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

C14H19ClN2O3 — CID 75482539

IUPAC(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCC[C@@H]1C(=O)O)NCc1ccccc1
InChIInChI=1S/C14H18N2O3.ClH/c17-13(15-9-11-5-2-1-3-6-11)10-16-8-4-7-12(16)14(18)19;/h1-3,5-6,12H,4,7-10H2,(H,15,17)(H,18,19);1H/t12-;/m1./s1
InChIKeyLZQAXJDIPWYUKK-UTONKHPSSA-N
MW298.77 g/mol
LogP1.27
Rot. Bonds5

About (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 75482539) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID75482539
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(CN1CCC[C@@H]1C(=O)O)NCc1ccccc1
InChIInChI=1S/C14H18N2O3.ClH/c17-13(15-9-11-5-2-1-3-6-11)10-16-8-4-7-12(16)14(18)19;/h1-3,5-6,12H,4,7-10H2,(H,15,17)(H,18,19);1H/t12-;/m1./s1
InChIKeyLZQAXJDIPWYUKK-UTONKHPSSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
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(2S)-1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
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CID 86789165
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
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2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
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N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743
1-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909191
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 75482539) is (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(CN1CCC[C@@H]1C(=O)O)NCc1ccccc1.
What is the InChIKey of (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is LZQAXJDIPWYUKK-UTONKHPSSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-13(15-9-11-5-2-1-3-6-11)10-16-8-4-7-12(16)14(18)19;/h1-3,5-6,12H,4,7-10H2,(H,15,17)(H,18,19);1H/t12-;/m1./s1.
What are the key properties of (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 75482539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).