3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid

C8H15NO4 — CID 66166212

IUPAC3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
SMILESCC(C)(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2,3)7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyLVXSOLWIOHKEHM-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.41
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid

3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid (PubChem CID 66166212) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
PubChem CID66166212
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
SMILESCC(C)(C)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2,3)7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyLVXSOLWIOHKEHM-UHFFFAOYSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
3-(tert-butylamino)-2-hydroxypropanoic acid
CID 83694818
(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbothioylamino]propanoic acid
CID 143974354
6-(2,2-dimethylpropanoylamino)-3,5-dihydroxyhexanoic acid
CID 123706395
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
(2S)-2-hydroxy-3-(2-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 107841057
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
(2S)-3-[(3-amino-5,5-dimethylhexanoyl)amino]-2-hydroxypropanoic acid
CID 107835905
(2S)-3-[[2-[acetyl(methyl)amino]acetyl]amino]-2-hydroxypropanoic acid
CID 107833506

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid (CID 66166212) is 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid is CC(C)(C)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid?
The InChIKey is LVXSOLWIOHKEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,3)7(13)9-4-5(10)6(11)12/h5,10H,4H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid?
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66166212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).