2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid

C14H19NO4 — CID 117417115

IUPAC2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
SMILESCOc1cc(CC(N)C(=O)O)ccc1OCC1CC1
InChIInChI=1S/C14H19NO4/c1-18-13-7-10(6-11(15)14(16)17)4-5-12(13)19-8-9-2-3-9/h4-5,7,9,11H,2-3,6,8,15H2,1H3,(H,16,17)
InChIKeyFEVRNALGRUSMPL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds7

About 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid

2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid (PubChem CID 117417115) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
PubChem CID117417115
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
SMILESCOc1cc(CC(N)C(=O)O)ccc1OCC1CC1
InChIInChI=1S/C14H19NO4/c1-18-13-7-10(6-11(15)14(16)17)4-5-12(13)19-8-9-2-3-9/h4-5,7,9,11H,2-3,6,8,15H2,1H3,(H,16,17)
InChIKeyFEVRNALGRUSMPL-UHFFFAOYSA-N
XLogP1.44
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-amino-3-[3-methoxy-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117421344
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
2-amino-3-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl]propanoic acid
CID 170879351
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
(2S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid;2-[amino(methyl)amino]propanoic acid
CID 91873500
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 19842140

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid (CID 117417115) is 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid is COc1cc(CC(N)C(=O)O)ccc1OCC1CC1.
What is the InChIKey of 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid?
The InChIKey is FEVRNALGRUSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-7-10(6-11(15)14(16)17)4-5-12(13)19-8-9-2-3-9/h4-5,7,9,11H,2-3,6,8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid?
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid is sourced from PubChem (CID 117417115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).