(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C19H25NO4 — CID 58051374

IUPAC(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](C2CCCCC2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H25NO4/c21-18(22)17-16(15-9-5-2-6-10-15)11-12-20(17)19(23)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyBVHPXPOVDDVFQT-SJORKVTESA-N
MW331.41 g/mol
LogP3.68
Rot. Bonds4

About (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 58051374) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID58051374
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](C2CCCCC2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H25NO4/c21-18(22)17-16(15-9-5-2-6-10-15)11-12-20(17)19(23)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyBVHPXPOVDDVFQT-SJORKVTESA-N
XLogP3.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,3aR,6aS)-2-phenylmethoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 135317799
2-phenylmethoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 73243312
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
dibenzyl (2S)-3-hydroxypyrrolidine-1,2-dicarboxylate;hydrochloride
CID 18346184
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
2-O-benzyl 3-O-methyl (3S,3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 135317961
tribenzyl (2S,3R)-pyrrolidine-1,2,3-tricarboxylate
CID 10648165
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
(2R,3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carbothioic S-acid
CID 131712678
[2-(2-carboxy-1-phenylmethoxycarbonylpiperidin-3-yl)-2-oxoethyl]-trihydroxyphosphanium
CID 57025836
2-O-benzyl 3-O-ethyl (3aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,3-dicarboxylate
CID 59356485

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 58051374) is (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1[C@@H](C2CCCCC2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is BVHPXPOVDDVFQT-SJORKVTESA-N. The full InChI is InChI=1S/C19H25NO4/c21-18(22)17-16(15-9-5-2-6-10-15)11-12-20(17)19(23)24-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 58051374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).