(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid

C10H20N2O5 — CID 107828090

IUPAC(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
SMILESCOCCC(C)NC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-7(4-6-17-2)11-10(16)12-8(3-5-13)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7?,8-/m0/s1
InChIKeyISAUDCSIQXKYFN-MQWKRIRWSA-N
MW248.28 g/mol
LogP-0.45
Rot. Bonds8

About (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid

(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid (PubChem CID 107828090) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
PubChem CID107828090
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid
SMILESCOCCC(C)NC(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-7(4-6-17-2)11-10(16)12-8(3-5-13)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7?,8-/m0/s1
InChIKeyISAUDCSIQXKYFN-MQWKRIRWSA-N
XLogP-0.45
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 107828128
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216
(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176
2-(but-3-yn-2-ylcarbamoylamino)-4-methoxybutanoic acid
CID 114418561
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
5-methoxy-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 81085553
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456
2-(1-ethoxypropan-2-ylcarbamoylamino)-5-methoxypentanoic acid
CID 81086320
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
2-(but-3-yn-2-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 114418413

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid (CID 107828090) is (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid is COCCC(C)NC(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is ISAUDCSIQXKYFN-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-7(4-6-17-2)11-10(16)12-8(3-5-13)9(14)15/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H2,11,12,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid?
(2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(4-methoxybutan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 107828090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).