2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid

C13H26N2O4 — CID 107474068

IUPAC2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCCN(CCO)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-5-15(6-7-16)12(19)14-9-10(11(17)18)8-13(2,3)4/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyJPSBQLZIGPWEEP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.15
Rot. Bonds7

About 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid

2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474068) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474068
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCCN(CCO)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-5-15(6-7-16)12(19)14-9-10(11(17)18)8-13(2,3)4/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyJPSBQLZIGPWEEP-UHFFFAOYSA-N
XLogP1.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid with MolForge

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Related Compounds

2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474577
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[[[ethyl(propyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65218574
3-(5,5-dimethylhexan-2-yl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 111435289
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565
2-[[[(3-hydroxycyclobutyl)methyl-methylcarbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474508
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65220926
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107474068) is 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is CCN(CCO)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is JPSBQLZIGPWEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-15(6-7-16)12(19)14-9-10(11(17)18)8-13(2,3)4/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).