methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate

C13H18N2O4 — CID 82350124

IUPACmethyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate
SMILESCCCOc1cc(C(=O)OC)ccc1NC(=O)CN
InChIInChI=1S/C13H18N2O4/c1-3-6-19-11-7-9(13(17)18-2)4-5-10(11)15-12(16)8-14/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,16)
InChIKeyFBNPQXCOMOMLLZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.16
Rot. Bonds6

About methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate

methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate (PubChem CID 82350124) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate
PubChem CID82350124
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate
SMILESCCCOc1cc(C(=O)OC)ccc1NC(=O)CN
InChIInChI=1S/C13H18N2O4/c1-3-6-19-11-7-9(13(17)18-2)4-5-10(11)15-12(16)8-14/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,16)
InChIKeyFBNPQXCOMOMLLZ-UHFFFAOYSA-N
XLogP1.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-aminoacetyl)amino]-3-(2-amino-2-oxoethoxy)benzoate
CID 82350119
ethyl 4-(3-aminopropanoylamino)-3-propoxybenzoate
CID 82350176
methyl 3-amino-4-propoxybenzoate
CID 43380309
ethyl 4-[(2-aminoacetyl)amino]-3-prop-2-ynoxybenzoate
CID 82350156
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
methyl 4-(3-aminopropanoylamino)-3-prop-2-ynoxybenzoate
CID 82350205
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
methyl 4-[(2-chloroacetyl)amino]-3-methoxybenzoate
CID 83318590
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
methyl 3-formamido-4-propoxybenzoate
CID 135191960
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate?
The IUPAC name of methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate (CID 82350124) is methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate.
What is the SMILES notation for methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate?
The canonical SMILES for methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate is CCCOc1cc(C(=O)OC)ccc1NC(=O)CN.
What is the InChIKey of methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate?
The InChIKey is FBNPQXCOMOMLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-6-19-11-7-9(13(17)18-2)4-5-10(11)15-12(16)8-14/h4-5,7H,3,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate?
methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate has a molecular weight of 266.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate is sourced from PubChem (CID 82350124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).