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

C12H24N2O3 — CID 61161897

IUPAC(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)7(13)9(15)14-8(10(16)17)12(4,5)6/h7-8H,13H2,1-6H3,(H,14,15)(H,16,17)/t7-,8-/m1/s1
InChIKeyPIVYJPFLEZDGHK-HTQZYQBOSA-N
MW244.33 g/mol
LogP0.98
Rot. Bonds3

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

(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 61161897) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid
PubChem CID61161897
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-11(2,3)7(13)9(15)14-8(10(16)17)12(4,5)6/h7-8H,13H2,1-6H3,(H,14,15)(H,16,17)/t7-,8-/m1/s1
InChIKeyPIVYJPFLEZDGHK-HTQZYQBOSA-N
XLogP0.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyl-L-leucine
CID 92843
L-Leucyl-L-alanine
CID 81721
Ala-Val
CID 96799
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
Ala-Ile
CID 7408079
Val-Ala
CID 6992638
Glycylisoleucine
CID 259613
IV
CID 435949
L-Valyl-L-valine
CID 107475
Glycyl-L-valine
CID 2724807
Ile-Leu
CID 7019083

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid (CID 61161897) is (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is PIVYJPFLEZDGHK-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)7(13)9(15)14-8(10(16)17)12(4,5)6/h7-8H,13H2,1-6H3,(H,14,15)(H,16,17)/t7-,8-/m1/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid?
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61161897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).