2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid

C14H17NO5 — CID 175383774

IUPAC2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc(COC(=O)C2CCCN2C(=O)O)cc1
InChIInChI=1S/C14H17NO5/c1-19-11-6-4-10(5-7-11)9-20-13(16)12-3-2-8-15(12)14(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyFKIASKVDGQXLJN-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.88
Rot. Bonds4

About 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid

2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid (PubChem CID 175383774) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
PubChem CID175383774
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccc(COC(=O)C2CCCN2C(=O)O)cc1
InChIInChI=1S/C14H17NO5/c1-19-11-6-4-10(5-7-11)9-20-13(16)12-3-2-8-15(12)14(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)
InChIKeyFKIASKVDGQXLJN-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
(4-methoxyphenyl)methyl (2R)-1-benzylpyrrolidine-2-carboxylate
CID 97063553
benzyl (2R)-1-[(2S,3S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylate
CID 58726741
benzyl (2S)-1-[6-oxo-6-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]hexanoyl]pyrrolidine-2-carboxylate
CID 54052130
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
CID 60554533
(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60529591
benzyl (2R)-1-[6-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]pyridine-2-carbonyl]pyrrolidine-2-carboxylate
CID 54082754
benzyl (2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
CID 45142238
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055
benzyl 1-[2-(tert-butylamino)-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 139619480

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid (CID 175383774) is 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid is COc1ccc(COC(=O)C2CCCN2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is FKIASKVDGQXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-6-4-10(5-7-11)9-20-13(16)12-3-2-8-15(12)14(17)18/h4-7,12H,2-3,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid?
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175383774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).