2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid

C10H20N2O3 — CID 64583872

IUPAC2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
SMILESCC(=O)NC(CNCC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(13)12-8(9(14)15)5-11-6-10(2,3)4/h8,11H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyDVWRFKFZWZHNCM-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds5

About 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid

2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid (PubChem CID 64583872) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
PubChem CID64583872
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
SMILESCC(=O)NC(CNCC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(13)12-8(9(14)15)5-11-6-10(2,3)4/h8,11H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyDVWRFKFZWZHNCM-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
2-acetamido-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
CID 106247273
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
2-acetamido-3-(2-methylprop-2-enylamino)propanoic acid
CID 114616873
2-acetamido-3-(4,4,4-trifluorobutylamino)propanoic acid
CID 115518169
2-acetamido-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 64581277
2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
CID 66107045
2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
CID 64582080
2-acetamido-3-[(4-ethylphenyl)methylamino]propanoic acid
CID 106899650
2-acetamido-3-[2,2-dimethylpropyl(methyl)amino]propanoic acid
CID 64582721
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid?
The IUPAC name of 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid (CID 64583872) is 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid is CC(=O)NC(CNCC(C)(C)C)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid?
The InChIKey is DVWRFKFZWZHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(13)12-8(9(14)15)5-11-6-10(2,3)4/h8,11H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid?
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid is sourced from PubChem (CID 64583872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).