4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid

C15H30N2O3 — CID 106330622

IUPAC4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
SMILESCCC(C)(CC)NC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-7-15(6,8-2)17-13(20)16-10-11(12(18)19)9-14(3,4)5/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyCXPVWTXUKDKWRS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.00
Rot. Bonds7

About 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid

4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid (PubChem CID 106330622) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
PubChem CID106330622
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid
SMILESCCC(C)(CC)NC(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-7-15(6,8-2)17-13(20)16-10-11(12(18)19)9-14(3,4)5/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyCXPVWTXUKDKWRS-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764
2-[[(2-ethoxy-2-methylpropyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474753
2-[(2-aminoethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474087
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474413
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
2-[(4-ethylsulfanylbutan-2-ylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107474717

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid (CID 106330622) is 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid is CCC(C)(CC)NC(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is CXPVWTXUKDKWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-15(6,8-2)17-13(20)16-10-11(12(18)19)9-14(3,4)5/h11H,7-10H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid?
4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(3-methylpentan-3-ylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 106330622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).