(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid

C15H19NO6 — CID 174236608

IUPAC(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid
SMILESCOCOC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)O
InChIInChI=1S/C15H19NO6/c1-20-10-22-14(17)13-7-12(8-16(13)15(18)19)21-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyJWMHTITZVCYMLR-QWHCGFSZSA-N
MW309.32 g/mol
LogP1.47
Rot. Bonds6

About (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid

(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid (PubChem CID 174236608) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid
PubChem CID174236608
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid
SMILESCOCOC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)O
InChIInChI=1S/C15H19NO6/c1-20-10-22-14(17)13-7-12(8-16(13)15(18)19)21-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)/t12-,13+/m0/s1
InChIKeyJWMHTITZVCYMLR-QWHCGFSZSA-N
XLogP1.47
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-aminooxy-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 66870327
(2S,4R)-2-formyl-4-phenylmethoxypyrrolidine-1-carboxylic acid
CID 90217678
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683
(2R,4S)-4-benzyl-2-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766680
tert-butyl (2S,4R)-2-(2-methoxyacetyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 67422874
4-[(3-bromophenyl)methoxy]pyrrolidine-1,2-dicarboxylic acid
CID 154928693
tert-butyl (2S,4S)-2-acetyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 170193477
1-[(4S)-4-amino-4-carboxybutanoyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 118243652
ethyl (2S,4R)-2-(2-ethoxy-2-oxoethyl)-4-phenylmethoxypyrrolidine-1-carboxylate
CID 10735531
1-O-benzyl 2-O-methyl 4-ethenoxypyrrolidine-1,2-dicarboxylate
CID 123446649
1-O-benzyl 2-O-methyl (2S,4R)-4-(difluoromethoxy)pyrrolidine-1,2-dicarboxylate
CID 163226380
2-O-benzyl 1-O-methyl (1S,2R,4R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 135013218

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid (CID 174236608) is (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid is COCOC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)O.
What is the InChIKey of (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid?
The InChIKey is JWMHTITZVCYMLR-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO6/c1-20-10-22-14(17)13-7-12(8-16(13)15(18)19)21-9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,18,19)/t12-,13+/m0/s1.
What are the key properties of (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid?
(2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(methoxymethoxycarbonyl)-4-phenylmethoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).