3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid

C8H16N2O3 — CID 115427893

IUPAC3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
SMILESCC(N)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(9)6(11)10-4-8(2,3)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyIOLPZWIQJVQCJQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds4

About 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid

3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid (PubChem CID 115427893) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
PubChem CID115427893
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid
SMILESCC(N)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(9)6(11)10-4-8(2,3)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyIOLPZWIQJVQCJQ-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115360252
2,2-dimethyl-3-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115731634
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
(2S)-2-amino-N-(2,2,4-trimethylpentyl)propanamide;hydrochloride
CID 119344448
3-(2,4-dimethylpent-4-enoylamino)-2,2-dimethylpropanoic acid
CID 120687904
2-amino-N-(2-bromo-2,2-difluoroethyl)propanamide
CID 130551934
3-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2,2-dimethylpropanoic acid
CID 104905430

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid (CID 115427893) is 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid is CC(N)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid?
The InChIKey is IOLPZWIQJVQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(9)6(11)10-4-8(2,3)7(12)13/h5H,4,9H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid?
3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropanoylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).