2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid

C14H19NO4 — CID 65064783

IUPAC2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-8-15(10-13(16)17)9-11-4-6-12(7-5-11)14(18)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyBQBOIFAJVLSKEU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds7

About 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid

2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid (PubChem CID 65064783) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
PubChem CID65064783
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-8-15(10-13(16)17)9-11-4-6-12(7-5-11)14(18)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyBQBOIFAJVLSKEU-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;methyl 4-hydroxybenzoate
CID 70292955
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
4-[[bis(carboxymethyl)amino]methyl]benzoic acid
CID 129396565
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
methyl 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]benzoate
CID 61035373
methyl 4-[[bis(6-aminohexyl)amino]methyl]benzoate
CID 152933256

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid (CID 65064783) is 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid?
The InChIKey is BQBOIFAJVLSKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-8-15(10-13(16)17)9-11-4-6-12(7-5-11)14(18)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid?
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid is sourced from PubChem (CID 65064783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).