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

C10H18N2O6 — CID 107839223

IUPAC4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(CC(=O)OC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-12(6-8(14)18-2)10(17)11-5-4-7(13)9(15)16/h7,13H,3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyAKTPBOLRFQCEDC-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.97
Rot. Bonds7

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

4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107839223) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107839223
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(CC(=O)OC)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-12(6-8(14)18-2)10(17)11-5-4-7(13)9(15)16/h7,13H,3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyAKTPBOLRFQCEDC-UHFFFAOYSA-N
XLogP-0.97
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839122
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107839223) is 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCN(CC(=O)OC)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is AKTPBOLRFQCEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-3-12(6-8(14)18-2)10(17)11-5-4-7(13)9(15)16/h7,13H,3-6H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).