(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C16H22N2O4 — CID 119910385

IUPAC(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCOCc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C16H22N2O4/c1-22-11-13-6-4-12(5-7-13)9-17-15(19)10-18-8-2-3-14(18)16(20)21/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1
InChIKeyOUCIKNZWDINBIV-AWEZNQCLSA-N
MW306.36 g/mol
LogP1.00
Rot. Bonds7

About (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119910385) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID119910385
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCOCc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)O)cc1
InChIInChI=1S/C16H22N2O4/c1-22-11-13-6-4-12(5-7-13)9-17-15(19)10-18-8-2-3-14(18)16(20)21/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1
InChIKeyOUCIKNZWDINBIV-AWEZNQCLSA-N
XLogP1.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908548
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
(2S)-1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71914135
1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909301
(2R)-1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 95625732
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441794
1-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909191
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[[4-(methoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 120776497
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 119910385) is (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is COCc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OUCIKNZWDINBIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-22-11-13-6-4-12(5-7-13)9-17-15(19)10-18-8-2-3-14(18)16(20)21/h4-7,14H,2-3,8-11H2,1H3,(H,17,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119910385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).