2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid

C14H28N2O3 — CID 62821500

IUPAC2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
SMILESCCCCCCC(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-7-8-9-10-11(2)15-13(19)16(5)14(3,4)12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyNJDHUXDDSMXDMU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.85
Rot. Bonds8

About 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 62821500) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
PubChem CID62821500
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
SMILESCCCCCCC(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-6-7-8-9-10-11(2)15-13(19)16(5)14(3,4)12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyNJDHUXDDSMXDMU-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64603274
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
1,1-diethyl-3-heptan-2-ylurea
CID 78889279
2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
2,2-dimethyl-3-(octan-2-ylamino)propanoic acid
CID 79623645
2-ethyl-2-(heptan-2-ylamino)butanoic acid
CID 114996703
N-dodecan-2-ylpropanamide
CID 174988669
2-amino-N-heptan-2-yl-2-methylpropanamide
CID 61264408
3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
3-methyl-3-(octan-2-ylcarbamoylamino)butanoic acid
CID 64700091
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid (CID 62821500) is 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid is CCCCCCC(C)NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is NJDHUXDDSMXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-7-8-9-10-11(2)15-13(19)16(5)14(3,4)12(17)18/h11H,6-10H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62821500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).