methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride

C15H21ClN2O4 — CID 119283545

IUPACmethyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1ccc(NC(=O)C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-20-13(18)10-21-12-6-4-11(5-7-12)17-14(19)15(16)8-2-3-9-15;/h4-7H,2-3,8-10,16H2,1H3,(H,17,19);1H
InChIKeyRWEWYOBENJEZCW-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.87
Rot. Bonds5

About methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride

methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride (PubChem CID 119283545) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
PubChem CID119283545
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Namemethyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1ccc(NC(=O)C2(N)CCCC2)cc1.Cl
InChIInChI=1S/C15H20N2O4.ClH/c1-20-13(18)10-21-12-6-4-11(5-7-12)17-14(19)15(16)8-2-3-9-15;/h4-7H,2-3,8-10,16H2,1H3,(H,17,19);1H
InChIKeyRWEWYOBENJEZCW-UHFFFAOYSA-N
XLogP1.87
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[4-[(1-aminocyclopropanecarbonyl)amino]phenoxy]butanoate
CID 119784178
1-amino-N-[4-(cyclopropylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119325257
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
3-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891525

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride (CID 119283545) is methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride is COC(=O)COc1ccc(NC(=O)C2(N)CCCC2)cc1.Cl.
What is the InChIKey of methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride?
The InChIKey is RWEWYOBENJEZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c1-20-13(18)10-21-12-6-4-11(5-7-12)17-14(19)15(16)8-2-3-9-15;/h4-7H,2-3,8-10,16H2,1H3,(H,17,19);1H.
What are the key properties of methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride?
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride is sourced from PubChem (CID 119283545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).