2,2-dimethyl-3-(pentanoylamino)propanoic acid

C10H19NO3 — CID 81367765

IUPAC2,2-dimethyl-3-(pentanoylamino)propanoic acid
SMILESCCCCC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-6-8(12)11-7-10(2,3)9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyKTEMQONJJFIVDU-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds6

About 2,2-dimethyl-3-(pentanoylamino)propanoic acid

2,2-dimethyl-3-(pentanoylamino)propanoic acid (PubChem CID 81367765) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-(pentanoylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(pentanoylamino)propanoic acid
PubChem CID81367765
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2,2-dimethyl-3-(pentanoylamino)propanoic acid
SMILESCCCCC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-6-8(12)11-7-10(2,3)9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyKTEMQONJJFIVDU-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
3-(6-acetamidohexanoylamino)-2,2-dimethylpropanoic acid
CID 81369341
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2,2-dimethyl-3-[[3-oxo-3-(propylamino)propyl]amino]propanoic acid
CID 79624064
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(pentanoylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(pentanoylamino)propanoic acid (CID 81367765) is 2,2-dimethyl-3-(pentanoylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(pentanoylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(pentanoylamino)propanoic acid is CCCCC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(pentanoylamino)propanoic acid?
The InChIKey is KTEMQONJJFIVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-6-8(12)11-7-10(2,3)9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2,2-dimethyl-3-(pentanoylamino)propanoic acid?
2,2-dimethyl-3-(pentanoylamino)propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(pentanoylamino)propanoic acid is sourced from PubChem (CID 81367765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).