6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid

C13H26N2O4 — CID 65289849

IUPAC6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
SMILESCCN(CCO)C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-15(8-9-16)13(19)14-11(3)7-5-6-10(2)12(17)18/h10-11,16H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyBXXNNBGJRXKEGE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds9

About 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid

6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid (PubChem CID 65289849) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
PubChem CID65289849
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid
SMILESCCN(CCO)C(=O)NC(C)CCCC(C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-4-15(8-9-16)13(19)14-11(3)7-5-6-10(2)12(17)18/h10-11,16H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyBXXNNBGJRXKEGE-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
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

6-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65290123
6-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylheptanoic acid
CID 103103599
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
3-(5,5-dimethylhexan-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 111435289
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
(2R)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]propanoic acid
CID 104861849
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61207451
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80540676
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]propanoic acid
CID 102995511

Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid?
The IUPAC name of 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid (CID 65289849) is 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid is CCN(CCO)C(=O)NC(C)CCCC(C)C(=O)O.
What is the InChIKey of 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid?
The InChIKey is BXXNNBGJRXKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-4-15(8-9-16)13(19)14-11(3)7-5-6-10(2)12(17)18/h10-11,16H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid?
6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-2-methylheptanoic acid is sourced from PubChem (CID 65289849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).