4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid

C9H17NO5 — CID 106155382

IUPAC4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
SMILESCOCC(CCO)NC(=O)CCC(=O)O
InChIInChI=1S/C9H17NO5/c1-15-6-7(4-5-11)10-8(12)2-3-9(13)14/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyXRYPSCUGQWHPQX-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.64
Rot. Bonds8

About 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 106155382) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
PubChem CID106155382
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
SMILESCOCC(CCO)NC(=O)CCC(=O)O
InChIInChI=1S/C9H17NO5/c1-15-6-7(4-5-11)10-8(12)2-3-9(13)14/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14)
InChIKeyXRYPSCUGQWHPQX-UHFFFAOYSA-N
XLogP-0.64
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106155459
3-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799344
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103851039
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103799249
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid (CID 106155382) is 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid is COCC(CCO)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is XRYPSCUGQWHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-15-6-7(4-5-11)10-8(12)2-3-9(13)14/h7,11H,2-6H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid?
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 106155382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).