(2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C17H29NO5 — CID 118089287

IUPAC(2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CCC([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)CC1
InChIInChI=1S/C17H29NO5/c1-17(2,3)23-16(21)18-10-9-13(14(18)15(19)20)11-5-7-12(22-4)8-6-11/h11-14H,5-10H2,1-4H3,(H,19,20)/t11?,12?,13-,14-/m1/s1
InChIKeyVREGHAZHXBQZAQ-NWINJMCUSA-N
MW327.42 g/mol
LogP2.90
Rot. Bonds3

About (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

(2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 118089287) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID118089287
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name(2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CCC([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)CC1
InChIInChI=1S/C17H29NO5/c1-17(2,3)23-16(21)18-10-9-13(14(18)15(19)20)11-5-7-12(22-4)8-6-11/h11-14H,5-10H2,1-4H3,(H,19,20)/t11?,12?,13-,14-/m1/s1
InChIKeyVREGHAZHXBQZAQ-NWINJMCUSA-N
XLogP2.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

Tumonoic Acid F
CID 25058103
(2S,4S)-Boc-4-cyclohexyl-pyrrolidine-2-carboxylic acid
CID 2756008
rac-(3aR,7aS)-2-[(tert-butoxy)carbonyl]-octahydro-1H-isoindole-1-carboxylic acid
CID 70037351
2-(tert-Butoxycarbonyl)-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
rac-(2R,4R)-1-[(tert-butoxy)carbonyl]-4-(cyclobutylmethyl)pyrrolidine-2-carboxylic acid
CID 138991349
(2S)-4-{bicyclo[1.1.1]pentan-1-yl}-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
CID 145913440
(2S)-1-(3-acetyloxy-2,4-dimethyldodecanoyl)pyrrolidine-2-carboxylic acid
CID 25111591
(2S)-1-[(2S,3S,4S)-3-acetyloxy-2,4-dimethyldodecanoyl]pyrrolidine-2-carboxylic acid
CID 162910278
4-((3R,5S)-1-(tert-butoxycarbonyl)-5-(ethoxycarbonyl)-2-oxopyrrolidin-3-yl)butanoic acid
CID 5287395
3-{1-[(Tert-butoxy)carbonyl]-5-(methoxycarbonyl)pyrrolidin-3-yl}propanoic acid
CID 137698915
(2s,4r)-1-N-(t-butoxycarbonyl)-4-n-propylpyrrolidine-2-carboxylic
CID 10868945
(2s,4r)-1-N-(t-butoxycarbonyl)-4-i-butylpyrrolidine-2-carboxylic
CID 59554199

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 118089287) is (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is COC1CCC([C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)CC1.
What is the InChIKey of (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VREGHAZHXBQZAQ-NWINJMCUSA-N. The full InChI is InChI=1S/C17H29NO5/c1-17(2,3)23-16(21)18-10-9-13(14(18)15(19)20)11-5-7-12(22-4)8-6-11/h11-14H,5-10H2,1-4H3,(H,19,20)/t11?,12?,13-,14-/m1/s1.
What are the key properties of (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
(2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 327.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-methoxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118089287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).