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

C11H22N2O3 — CID 79011963

IUPAC2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)[C@H](N)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6(2)8(11(15)16)5-13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyMOBPJMHOOTXSNS-YGPZHTELSA-N
MW230.31 g/mol
LogP0.44
Rot. Bonds6

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

2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid (PubChem CID 79011963) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
PubChem CID79011963
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)[C@H](N)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-6(2)8(11(15)16)5-13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1
InChIKeyMOBPJMHOOTXSNS-YGPZHTELSA-N
XLogP0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
CID 65224075
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
2-[(4-aminopentanoylamino)methyl]-3-methylbutanoic acid
CID 65223873
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid (CID 79011963) is 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)[C@H](N)C(C)C)C(=O)O.
What is the InChIKey of 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid?
The InChIKey is MOBPJMHOOTXSNS-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6(2)8(11(15)16)5-13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8?,9-/m1/s1.
What are the key properties of 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid?
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 79011963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).