4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid

C10H20N2O5 — CID 107838885

IUPAC4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(CCOC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-3-12(6-7-17-2)10(16)11-5-4-8(13)9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRJDFAZRSOMDZEJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.50
Rot. Bonds8

About 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid

4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107838885) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107838885
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(CCOC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-3-12(6-7-17-2)10(16)11-5-4-8(13)9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyRJDFAZRSOMDZEJ-UHFFFAOYSA-N
XLogP-0.50
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339
(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839122
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988
(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid
CID 107840714
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2S)-4-[[cyclopropylmethyl(propyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838868

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107838885) is 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCN(CCOC)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is RJDFAZRSOMDZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-3-12(6-7-17-2)10(16)11-5-4-8(13)9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).