2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid

C13H19NO4 — CID 82344775

IUPAC2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCCC(CO)NC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-3-10(8-15)14-12(13(16)17)9-4-6-11(18-2)7-5-9/h4-7,10,12,14-15H,3,8H2,1-2H3,(H,16,17)
InChIKeyQUOYCOFDUSKCCD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.18
Rot. Bonds7

About 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid

2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid (PubChem CID 82344775) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid
PubChem CID82344775
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCCC(CO)NC(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO4/c1-3-10(8-15)14-12(13(16)17)9-4-6-11(18-2)7-5-9/h4-7,10,12,14-15H,3,8H2,1-2H3,(H,16,17)
InChIKeyQUOYCOFDUSKCCD-UHFFFAOYSA-N
XLogP1.18
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
CID 120530355
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
(3S)-4-hydroxy-3-[3-(4-methoxyphenyl)butanoylamino]butanoic acid
CID 146076841
2-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid
CID 120688356
2-(butan-2-ylamino)-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 61024530

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid (CID 82344775) is 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid is CCC(CO)NC(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is QUOYCOFDUSKCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-10(8-15)14-12(13(16)17)9-4-6-11(18-2)7-5-9/h4-7,10,12,14-15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid?
2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 82344775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).