2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid

C13H26N2O4 — CID 61437732

IUPAC2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
SMILESCCC(CC)CN(CC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C13H26N2O4/c1-5-10(6-2)8-15(7-3)13(19)14-11(9(4)16)12(17)18/h9-11,16H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyZHAUTASBLWQXCB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds8

About 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid

2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid (PubChem CID 61437732) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
PubChem CID61437732
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
SMILESCCC(CC)CN(CC)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C13H26N2O4/c1-5-10(6-2)8-15(7-3)13(19)14-11(9(4)16)12(17)18/h9-11,16H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyZHAUTASBLWQXCB-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437733
(2S,3R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 107481650
2-[bis(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 62921939
(2S,3R)-2-[[butan-2-yl(butyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 104966078
2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54988435
(2S,3S)-2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54988733
3-amino-1-ethyl-1-(2-ethylbutyl)urea
CID 61438084
2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61418747
(2S,3R)-3-hydroxy-2-[[propyl(prop-2-ynyl)carbamoyl]amino]butanoic acid
CID 104966481
3-hydroxy-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]butanoic acid
CID 54985406
3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid (CID 61437732) is 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid is CCC(CC)CN(CC)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid?
The InChIKey is ZHAUTASBLWQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-10(6-2)8-15(7-3)13(19)14-11(9(4)16)12(17)18/h9-11,16H,5-8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid?
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61437732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).