2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid

C18H19NO5 — CID 18009016

IUPAC2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid
SMILESCOC(=O)NC(Cc1ccccc1-c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C18H19NO5/c1-23-14-9-7-12(8-10-14)15-6-4-3-5-13(15)11-16(17(20)21)19-18(22)24-2/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMSRIYWYHEWQTPQ-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.71
Rot. Bonds6

About 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid

2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid (PubChem CID 18009016) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid
PubChem CID18009016
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid
SMILESCOC(=O)NC(Cc1ccccc1-c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C18H19NO5/c1-23-14-9-7-12(8-10-14)15-6-4-3-5-13(15)11-16(17(20)21)19-18(22)24-2/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMSRIYWYHEWQTPQ-UHFFFAOYSA-N
XLogP2.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-methylphenyl)phenyl]propanoic acid
CID 170882616
3-[2-(furan-2-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881140
(2S)-3-[3-(4-methoxyphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154815453
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[3-(4-methoxyphenyl)phenyl]propanoic acid
CID 177277599
3-[2-(4-methylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880515
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2S)-3-(2-carbamoylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762267
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-phenylphenyl)methoxy]phenyl]propanoate
CID 69244617
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
(2S)-3-(2-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54759073
(2S)-3-(2-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734475

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid?
The IUPAC name of 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid (CID 18009016) is 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid is COC(=O)NC(Cc1ccccc1-c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid?
The InChIKey is MSRIYWYHEWQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-14-9-7-12(8-10-14)15-6-4-3-5-13(15)11-16(17(20)21)19-18(22)24-2/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid?
2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid has a molecular weight of 329.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-3-[2-(4-methoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 18009016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).