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

C15H28N2O3 — CID 107473869

IUPAC2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESC=C(C)CN(CC)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-7-17(10-11(2)3)14(20)16-9-12(13(18)19)8-15(4,5)6/h12H,2,7-10H2,1,3-6H3,(H,16,20)(H,18,19)
InChIKeyXBHSDZCOVKBPAE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.73
Rot. Bonds7

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

2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107473869) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107473869
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESC=C(C)CN(CC)C(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-7-17(10-11(2)3)14(20)16-9-12(13(18)19)8-15(4,5)6/h12H,2,7-10H2,1,3-6H3,(H,16,20)(H,18,19)
InChIKeyXBHSDZCOVKBPAE-UHFFFAOYSA-N
XLogP2.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474068
2-[[[ethyl(prop-2-ynyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474577
(2R)-2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 113353148
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799158
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65220926
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
2-[[2-[ethyl(methyl)amino]ethylcarbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474332
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
4,4-dimethyl-2-[(pentanoylamino)methyl]pentanoic acid
CID 107474192
4,4-dimethyl-2-[(2-methylbutan-2-ylcarbamoylamino)methyl]pentanoic acid
CID 107473764

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107473869) is 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is C=C(C)CN(CC)C(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is XBHSDZCOVKBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-17(10-11(2)3)14(20)16-9-12(13(18)19)8-15(4,5)6/h12H,2,7-10H2,1,3-6H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107473869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).