2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid

C10H17NO6 — CID 61242771

IUPAC2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
SMILESCCOC(=O)CCC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H17NO6/c1-2-17-9(14)4-3-8(13)11-7(5-6-12)10(15)16/h7,12H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyNYADCWOIOSGWGD-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.72
Rot. Bonds8

About 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid

2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid (PubChem CID 61242771) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
PubChem CID61242771
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid
SMILESCCOC(=O)CCC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C10H17NO6/c1-2-17-9(14)4-3-8(13)11-7(5-6-12)10(15)16/h7,12H,2-6H2,1H3,(H,11,13)(H,15,16)
InChIKeyNYADCWOIOSGWGD-UHFFFAOYSA-N
XLogP-0.72
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-ethoxy-4-oxobutanoyl)amino]-4-methylsulfanylbutanoic acid
CID 61152551
2-[(4-ethoxy-4-oxobutanoyl)amino]-7-methoxy-7-oxohept-4-enoic acid
CID 54494097
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775
2-[(4-ethoxy-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467592
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
CID 60712403
3-hydroxy-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid
CID 101050675
ethyl 4-[(4-hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoate
CID 115770889
(2R)-2-(3-aminopentanoylamino)-4-hydroxybutanoic acid
CID 107825179

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid (CID 61242771) is 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid is CCOC(=O)CCC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is NYADCWOIOSGWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-2-17-9(14)4-3-8(13)11-7(5-6-12)10(15)16/h7,12H,2-6H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid?
2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 247.25 g/mol, XLogP of -0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-4-oxobutanoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61242771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).