2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid

C14H20N2O4 — CID 82314656

IUPAC2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid
SMILESCCC(NCC(=O)O)C(O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-12(15-8-13(18)19)14(20)10-4-6-11(7-5-10)16-9(2)17/h4-7,12,14-15,20H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRKCIQIKGKYTTBS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.13
Rot. Bonds7

About 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid

2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid (PubChem CID 82314656) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid
PubChem CID82314656
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid
SMILESCCC(NCC(=O)O)C(O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-3-12(15-8-13(18)19)14(20)10-4-6-11(7-5-10)16-9(2)17/h4-7,12,14-15,20H,3,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRKCIQIKGKYTTBS-UHFFFAOYSA-N
XLogP1.13
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamidophenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348713
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
CID 171862528
4-[[1-hydroxy-1-(4-methylphenyl)butan-2-yl]amino]butanoic acid
CID 82312389
N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]acetamide
CID 82314635
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
N-[4-[2-(cyclopropylamino)-1-hydroxybutyl]phenyl]propanamide
CID 82315413
N-[4-[1-(4-formamidophenyl)propyl]phenyl]acetamide
CID 59095975
2-(ethylamino)-1-(4-propan-2-ylphenyl)butan-1-ol
CID 82312822

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid (CID 82314656) is 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid is CCC(NCC(=O)O)C(O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid?
The InChIKey is RKCIQIKGKYTTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-12(15-8-13(18)19)14(20)10-4-6-11(7-5-10)16-9(2)17/h4-7,12,14-15,20H,3,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid?
2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid is sourced from PubChem (CID 82314656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).