3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid

C20H29NO4 — CID 51002016

IUPAC3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
SMILESCc1cc(OCC2CCCC2)ccc1C1CN(CCC(=O)O)CCO1
InChIInChI=1S/C20H29NO4/c1-15-12-17(25-14-16-4-2-3-5-16)6-7-18(15)19-13-21(10-11-24-19)9-8-20(22)23/h6-7,12,16,19H,2-5,8-11,13-14H2,1H3,(H,22,23)
InChIKeyQNWNSCZZPSITDC-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.41
Rot. Bonds7

About 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid

3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid (PubChem CID 51002016) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
PubChem CID51002016
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
SMILESCc1cc(OCC2CCCC2)ccc1C1CN(CCC(=O)O)CCO1
InChIInChI=1S/C20H29NO4/c1-15-12-17(25-14-16-4-2-3-5-16)6-7-18(15)19-13-21(10-11-24-19)9-8-20(22)23/h6-7,12,16,19H,2-5,8-11,13-14H2,1H3,(H,22,23)
InChIKeyQNWNSCZZPSITDC-UHFFFAOYSA-N
XLogP3.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-[(3,5-dimethylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 67033093
3-[2-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032919
3-[2-[4-[(2-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002069
3-[2-[2-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032139
3-[2-[4-[(4-butylphenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002165
3-[2-[2-methyl-4-[(2,3,4-trimethoxyphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 51002164
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032548
3-[2-[4-(1,3-diphenylpropoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 152762805
tert-butyl 3-[2-[4-[(4-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoate
CID 67032537
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-fluorophenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032572
3-[2-[4-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 67033566
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid (CID 51002016) is 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid is Cc1cc(OCC2CCCC2)ccc1C1CN(CCC(=O)O)CCO1.
What is the InChIKey of 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid?
The InChIKey is QNWNSCZZPSITDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-15-12-17(25-14-16-4-2-3-5-16)6-7-18(15)19-13-21(10-11-24-19)9-8-20(22)23/h6-7,12,16,19H,2-5,8-11,13-14H2,1H3,(H,22,23).
What are the key properties of 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid?
3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid has a molecular weight of 347.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopentylmethoxy)-2-methylphenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 51002016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).