2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid

C12H23NO3 — CID 114873698

IUPAC2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
SMILESCCC(C)CC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-6-9(3)8-10(14)13(7-2)12(4,5)11(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyQDEJSYJODYZYHZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.13
Rot. Bonds6

About 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid

2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid (PubChem CID 114873698) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
PubChem CID114873698
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid
SMILESCCC(C)CC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-6-9(3)8-10(14)13(7-2)12(4,5)11(15)16/h9H,6-8H2,1-5H3,(H,15,16)
InChIKeyQDEJSYJODYZYHZ-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62823516
2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]-2-methylpropanoic acid
CID 62818406
2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62818946
2-[ethyl-[2-(2-methoxyethoxy)acetyl]amino]-2-methylpropanoic acid
CID 62818599
N,N'-ditert-butyl-N,N'-diethyl-3-methylhexanediamide
CID 166236777
2-[[2-(1-aminocyclobutyl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 79854038
2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55123852
2-[ethyl-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822397
2-[ethyl-[2-(thian-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 83146101
2-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103870863
N-formyl-N,3-dimethylpentanamide
CID 142974327
2-[ethyl(2-methylpentan-3-yl)amino]-2-methylpropanoic acid
CID 65061521

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid (CID 114873698) is 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid is CCC(C)CC(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid?
The InChIKey is QDEJSYJODYZYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-9(3)8-10(14)13(7-2)12(4,5)11(15)16/h9H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid?
2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-methylpentanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114873698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).