(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid

C9H18N2O3 — CID 103927205

IUPAC(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
SMILESCC(N)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5(10)7(12)11-6(8(13)14)9(2,3)4/h5-6H,10H2,1-4H3,(H,11,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyBKTKTWQHSZPKHB-GDVGLLTNSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds3

About (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid

(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid (PubChem CID 103927205) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
PubChem CID103927205
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
SMILESCC(N)C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C9H18N2O3/c1-5(10)7(12)11-6(8(13)14)9(2,3)4/h5-6H,10H2,1-4H3,(H,11,12)(H,13,14)/t5?,6-/m0/s1
InChIKeyBKTKTWQHSZPKHB-GDVGLLTNSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-aminopropanoyl]amino]-3,3-dimethylbutanamide
CID 119320423
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 103927168
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)propanamide
CID 103794874
2-[(2-acetamido-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 43467424
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229
2-[(2-amino-2-phenylacetyl)amino]-3,3-dimethylbutanoic acid
CID 61159659
2-(2-aminohexanoylamino)-3,3-dimethylbutanoic acid
CID 61161199
(2R)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927284
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid (CID 103927205) is (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid is CC(N)C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is BKTKTWQHSZPKHB-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(10)7(12)11-6(8(13)14)9(2,3)4/h5-6H,10H2,1-4H3,(H,11,12)(H,13,14)/t5?,6-/m0/s1.
What are the key properties of (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid?
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 103927205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).