methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate

C12H15NO5 — CID 139715221

IUPACmethyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
SMILESCCCOC(=O)Nc1ccc(C(=O)OC)c(O)c1
InChIInChI=1S/C12H15NO5/c1-3-6-18-12(16)13-8-4-5-9(10(14)7-8)11(15)17-2/h4-5,7,14H,3,6H2,1-2H3,(H,13,16)
InChIKeySXBGFQUJRHDJCW-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate

methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate (PubChem CID 139715221) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
PubChem CID139715221
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
SMILESCCCOC(=O)Nc1ccc(C(=O)OC)c(O)c1
InChIInChI=1S/C12H15NO5/c1-3-6-18-12(16)13-8-4-5-9(10(14)7-8)11(15)17-2/h4-5,7,14H,3,6H2,1-2H3,(H,13,16)
InChIKeySXBGFQUJRHDJCW-UHFFFAOYSA-N
XLogP2.14
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-hydroxy-4-(octoxycarbonylamino)benzoate
CID 139688580
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 83300739
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741
methyl 4-(decoxycarbonylamino)-2-decoxycarbonyloxybenzoate
CID 139740990
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
CID 139715310
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
propyl N-(2H-benzotriazol-5-yl)carbamate
CID 135188444
2-hydroxy-4-(2-phenylethoxycarbonylamino)benzoic acid
CID 19001014
propyl N-(3-bromophenyl)carbamate
CID 19165876
5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000995
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate?
The IUPAC name of methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate (CID 139715221) is methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate?
The canonical SMILES for methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate is CCCOC(=O)Nc1ccc(C(=O)OC)c(O)c1.
What is the InChIKey of methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate?
The InChIKey is SXBGFQUJRHDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-3-6-18-12(16)13-8-4-5-9(10(14)7-8)11(15)17-2/h4-5,7,14H,3,6H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate?
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate has a molecular weight of 253.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate is sourced from PubChem (CID 139715221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).