2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid

C14H18N2O5 — CID 63747068

IUPAC2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)N1CCCC1CO
InChIInChI=1S/C14H18N2O5/c17-8-10-4-3-7-16(10)14(20)15-11-5-1-2-6-12(11)21-9-13(18)19/h1-2,5-6,10,17H,3-4,7-9H2,(H,15,20)(H,18,19)
InChIKeyUXEQJGMKCICHGY-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.14
Rot. Bonds5

About 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid

2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid (PubChem CID 63747068) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
PubChem CID63747068
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1NC(=O)N1CCCC1CO
InChIInChI=1S/C14H18N2O5/c17-8-10-4-3-7-16(10)14(20)15-11-5-1-2-6-12(11)21-9-13(18)19/h1-2,5-6,10,17H,3-4,7-9H2,(H,15,20)(H,18,19)
InChIKeyUXEQJGMKCICHGY-UHFFFAOYSA-N
XLogP1.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
(2S)-2-(hydroxymethyl)-N-(2-propylphenyl)pyrrolidine-1-carboxamide
CID 111116843
N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
CID 79547105
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
2-[2-(aminomethyl)phenoxy]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107211770
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
2-[2-(aminomethyl)phenoxy]-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107211766
2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
CID 63747234
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid (CID 63747068) is 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid is O=C(O)COc1ccccc1NC(=O)N1CCCC1CO.
What is the InChIKey of 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid?
The InChIKey is UXEQJGMKCICHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-8-10-4-3-7-16(10)14(20)15-11-5-1-2-6-12(11)21-9-13(18)19/h1-2,5-6,10,17H,3-4,7-9H2,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid?
2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 63747068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).