2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid

C10H18N2O4 — CID 62677817

IUPAC2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
SMILESCCC(C)(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-4-10(2,3)9(16)12-5-7(13)11-6-8(14)15/h4-6H2,1-3H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyMMFHMDBVPFZRGF-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds6

About 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid

2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid (PubChem CID 62677817) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
PubChem CID62677817
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
SMILESCCC(C)(C)C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-4-10(2,3)9(16)12-5-7(13)11-6-8(14)15/h4-6H2,1-3H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyMMFHMDBVPFZRGF-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-diethylbutanoylamino)acetic acid
CID 88907471
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
N-(2,2-dimethylpropyl)-2,2-dimethylbutanamide
CID 54381373
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
2,2-dimethyl-N-phenacylbutanamide
CID 64991408
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850
2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
2-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]acetic acid
CID 123134771
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-[[2-(2,3,3-trimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 83144191

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid (CID 62677817) is 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid is CCC(C)(C)C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid?
The InChIKey is MMFHMDBVPFZRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-4-10(2,3)9(16)12-5-7(13)11-6-8(14)15/h4-6H2,1-3H3,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid?
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 62677817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).