2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid

C13H25NO3 — CID 63832512

IUPAC2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)14(8-12(16)17)11(15)7-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,17)
InChIKeyJAAWPGFLUFAZCK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.38
Rot. Bonds5

About 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid

2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid (PubChem CID 63832512) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
PubChem CID63832512
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H25NO3/c1-9(2)14(8-12(16)17)11(15)7-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,17)
InChIKeyJAAWPGFLUFAZCK-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927
3-[methyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
CID 63833569
3-[tert-butyl(3,4,4-trimethylpentanoyl)amino]propanoic acid
CID 63832684
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
CID 119198466
N-(2-aminoethyl)-3,4,4-trimethyl-N-pentan-3-ylpentanamide
CID 63834573
2-[propan-2-yl-[3-(propan-2-ylamino)propanoyl]amino]acetic acid
CID 61162403

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid (CID 63832512) is 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)CC(C)C(C)(C)C.
What is the InChIKey of 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid?
The InChIKey is JAAWPGFLUFAZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-9(2)14(8-12(16)17)11(15)7-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,17).
What are the key properties of 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid?
2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid has a molecular weight of 243.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(3,4,4-trimethylpentanoyl)amino]acetic acid is sourced from PubChem (CID 63832512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).