2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid

C14H21NO4 — CID 82314103

IUPAC2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
SMILESCCCOc1ccc(C(O)C(C)NCC(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-3-8-19-12-6-4-11(5-7-12)14(18)10(2)15-9-13(16)17/h4-7,10,14-15,18H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyRQMGKBHYYJDNHY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.57
Rot. Bonds8

About 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid

2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid (PubChem CID 82314103) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
PubChem CID82314103
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid
SMILESCCCOc1ccc(C(O)C(C)NCC(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-3-8-19-12-6-4-11(5-7-12)14(18)10(2)15-9-13(16)17/h4-7,10,14-15,18H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyRQMGKBHYYJDNHY-UHFFFAOYSA-N
XLogP1.57
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
5-hydroxy-4-(methylamino)-5-(4-propoxyphenyl)pentanoic acid
CID 82348478
4-[[1-(4-ethoxyphenyl)-1-hydroxypropan-2-yl]amino]butanoic acid
CID 82314024
2-(4-propoxyanilino)acetic acid
CID 15310375
2-[[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]acetic acid
CID 82314353
(2R)-2-[[(3R)-3-hydroxy-3-(4-propoxyphenyl)propyl]amino]propanoic acid
CID 40643732
3-[[2-hydroxy-2-(4-propoxyphenyl)ethyl]-methylamino]propanoic acid
CID 82216140
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenoxy]acetic acid;hydrate
CID 139835763
2-(4-propoxyphenyl)pentan-3-one
CID 79307354
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid (CID 82314103) is 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid is CCCOc1ccc(C(O)C(C)NCC(=O)O)cc1.
What is the InChIKey of 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid?
The InChIKey is RQMGKBHYYJDNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-8-19-12-6-4-11(5-7-12)14(18)10(2)15-9-13(16)17/h4-7,10,14-15,18H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid?
2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-1-(4-propoxyphenyl)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 82314103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).