(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid

C10H20N2O3 — CID 6997293

IUPAC(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyKRNYOVHEKOBTEF-JGVFFNPUSA-N
MW216.28 g/mol
LogP0.20
Rot. Bonds5

About (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid

(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid (PubChem CID 6997293) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
PubChem CID6997293
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1
InChIKeyKRNYOVHEKOBTEF-JGVFFNPUSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 18224555
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 25120389
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 22702457
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
(2S)-2-(2-carboxypropanoylamino)-3-methylbutanoic acid
CID 122065069
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 18232401
(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid
CID 99722899
2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 71336736
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 145458126
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3,3-dimethylbutanoyl]amino]propanoic acid
CID 162671473
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 65227476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid (CID 6997293) is (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid is CC(C)[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid?
The InChIKey is KRNYOVHEKOBTEF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid?
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 6997293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).