4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid

C12H24N2O5 — CID 54985894

IUPAC4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCOCCN(CC(C)C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)8-14(5-7-19-3)12(18)13-10(4-6-15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyWTLFQKHBUXQORB-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.14
Rot. Bonds9

About 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid

4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid (PubChem CID 54985894) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
PubChem CID54985894
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCOCCN(CC(C)C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)8-14(5-7-19-3)12(18)13-10(4-6-15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyWTLFQKHBUXQORB-UHFFFAOYSA-N
XLogP0.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 107481824
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid (CID 54985894) is 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid is COCCN(CC(C)C)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The InChIKey is WTLFQKHBUXQORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-9(2)8-14(5-7-19-3)12(18)13-10(4-6-15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 54985894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).