4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid

C15H21NO5 — CID 61244206

IUPAC4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
SMILESCC(C)OCc1ccc(C(=O)NC(CCO)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-10(2)21-9-11-3-5-12(6-4-11)14(18)16-13(7-8-17)15(19)20/h3-6,10,13,17H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyFTBHDVMPXOHWFH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.18
Rot. Bonds8

About 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid

4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid (PubChem CID 61244206) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
PubChem CID61244206
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid
SMILESCC(C)OCc1ccc(C(=O)NC(CCO)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-10(2)21-9-11-3-5-12(6-4-11)14(18)16-13(7-8-17)15(19)20/h3-6,10,13,17H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyFTBHDVMPXOHWFH-UHFFFAOYSA-N
XLogP1.18
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
4-hydroxy-2-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 61243460
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
(2R)-4-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]butanoic acid
CID 107822947
(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid (CID 61244206) is 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid is CC(C)OCc1ccc(C(=O)NC(CCO)C(=O)O)cc1.
What is the InChIKey of 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid?
The InChIKey is FTBHDVMPXOHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)21-9-11-3-5-12(6-4-11)14(18)16-13(7-8-17)15(19)20/h3-6,10,13,17H,7-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid?
4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 61244206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).