(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid

C10H20N2O3 — CID 88580674

IUPAC(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
SMILESCC(C)(C)CC(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)6-8(13)12-5-4-7(11)9(14)15/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyIEUNKNVDAZNALG-ZETCQYMHSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds5

About (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid

(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid (PubChem CID 88580674) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
PubChem CID88580674
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
SMILESCC(C)(C)CC(=O)NCC[C@H](N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)6-8(13)12-5-4-7(11)9(14)15/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyIEUNKNVDAZNALG-ZETCQYMHSA-N
XLogP0.34
TPSA92.42 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 ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
(2S)-2-amino-4-[[N'-(2,2-dimethylpropyl)carbamimidoyl]amino]butanoic acid
CID 11390594
2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
CID 123966527
(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621
2-amino-5-[2-[3-[2-[(4-amino-4-carboxybutanoyl)amino]ethoxy]-2,2-dimethyl-3-oxopropanoyl]oxyethylamino]-5-oxopentanoic acid
CID 58463544
2-amino-4-[[(E)-but-2-enoyl]amino]butanoic acid
CID 129218580
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-5-oxopentanoic acid
CID 170607216
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
N-(2-bromo-4,4-dimethylpentyl)-3,3-dimethylbutanamide
CID 107156617
2-amino-5-[[3-[carboxy(methyl)amino]-3-oxopropyl]amino]-5-oxopentanoic acid
CID 173061748
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid (CID 88580674) is (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid is CC(C)(C)CC(=O)NCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid?
The InChIKey is IEUNKNVDAZNALG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)6-8(13)12-5-4-7(11)9(14)15/h7H,4-6,11H2,1-3H3,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid?
(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid is sourced from PubChem (CID 88580674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).