4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C14H18N2O5 — CID 61186019

IUPAC4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-8-3-4-12(21-2)10(5-8)15-14(20)16-7-9(17)6-11(16)13(18)19/h3-5,9,11,17H,6-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJUAZZPIPEFDBPF-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.06
Rot. Bonds3

About 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61186019) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61186019
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C14H18N2O5/c1-8-3-4-12(21-2)10(5-8)15-14(20)16-7-9(17)6-11(16)13(18)19/h3-5,9,11,17H,6-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJUAZZPIPEFDBPF-UHFFFAOYSA-N
XLogP1.06
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61181705
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
4-hydroxy-1-[(2,4,5-trichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61182258
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
(2S,4R)-4-hydroxy-1-[1-(4-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63844244
(2R,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000304
2-(1-adamantylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 8512834
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589213
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61186019) is 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is COc1ccc(C)cc1NC(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JUAZZPIPEFDBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8-3-4-12(21-2)10(5-8)15-14(20)16-7-9(17)6-11(16)13(18)19/h3-5,9,11,17H,6-7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61186019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).