2-(2,2-diethylbutanoylamino)acetic acid

C10H19NO3 — CID 88907471

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

About 2-(2,2-diethylbutanoylamino)acetic acid

2-(2,2-diethylbutanoylamino)acetic acid (PubChem CID 88907471) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,2-diethylbutanoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-diethylbutanoylamino)acetic acid
PubChem CID88907471
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2,2-diethylbutanoylamino)acetic acid
SMILESCCC(CC)(CC)C(=O)NCC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-10(5-2,6-3)9(14)11-7-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyMSPFGBBGBDNKLI-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

2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817
N-ethyl-2,2-bis(sulfanylmethyl)butanamide
CID 23104520
N,N-diethylethanamine;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 86184993
2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
2-(2,2-diacetamidopropanoylamino)acetic acid
CID 82254402
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
CID 112703701
2-(ethoxycarbonylamino)acetic acid;propane
CID 145279324
2-aminoacetic acid;2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 160881248
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
2,2-diethyl-N-methylsilylbutanamide
CID 123632765
3-(2,2-diethylbutanoylamino)-4,4,4-trifluorobutanoic acid
CID 88907475

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethylbutanoylamino)acetic acid?
The IUPAC name of 2-(2,2-diethylbutanoylamino)acetic acid (CID 88907471) is 2-(2,2-diethylbutanoylamino)acetic acid.
What is the SMILES notation for 2-(2,2-diethylbutanoylamino)acetic acid?
The canonical SMILES for 2-(2,2-diethylbutanoylamino)acetic acid is CCC(CC)(CC)C(=O)NCC(=O)O.
What is the InChIKey of 2-(2,2-diethylbutanoylamino)acetic acid?
The InChIKey is MSPFGBBGBDNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-10(5-2,6-3)9(14)11-7-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-(2,2-diethylbutanoylamino)acetic acid?
2-(2,2-diethylbutanoylamino)acetic 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-(2,2-diethylbutanoylamino)acetic acid is sourced from PubChem (CID 88907471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).