3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid

C10H20N2O3 — CID 61161578

IUPAC3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-6(5-7(13)14)12-9(15)8(11)10(2,3)4/h6,8H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t6?,8-/m1/s1
InChIKeyBOBNSUAKZVMEJN-QFSRMBNQSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds4

About 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid (PubChem CID 61161578) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
PubChem CID61161578
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-6(5-7(13)14)12-9(15)8(11)10(2,3)4/h6,8H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t6?,8-/m1/s1
InChIKeyBOBNSUAKZVMEJN-QFSRMBNQSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
CID 82945253
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 103930040
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
The IUPAC name of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid (CID 61161578) is 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
The canonical SMILES for 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
The InChIKey is BOBNSUAKZVMEJN-QFSRMBNQSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-6(5-7(13)14)12-9(15)8(11)10(2,3)4/h6,8H,5,11H2,1-4H3,(H,12,15)(H,13,14)/t6?,8-/m1/s1.
What are the key properties of 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid?
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid is sourced from PubChem (CID 61161578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).