2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid

C15H30N2O4 — CID 107474753

IUPAC2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCCOC(C)(C)CNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-7-21-15(5,6)10-17-13(20)16-9-11(12(18)19)8-14(2,3)4/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeySYZYPVPHHXEUTD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds8

About 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid

2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474753) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474753
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCCOC(C)(C)CNC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O4/c1-7-21-15(5,6)10-17-13(20)16-9-11(12(18)19)8-14(2,3)4/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeySYZYPVPHHXEUTD-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 106330622
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
2-[(cyclopentylmethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473976
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474413
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 106238825
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid (CID 107474753) is 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid is CCOC(C)(C)CNC(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is SYZYPVPHHXEUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-7-21-15(5,6)10-17-13(20)16-9-11(12(18)19)8-14(2,3)4/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).