methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate

C12H24N2O3 — CID 170220008

IUPACmethyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
SMILESCCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-6-9(13)11(15)14-10(7-8(2)3)12(16)17-4/h8-10H,5-7,13H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyQOSBLOKPGIXOJO-VHSXEESVSA-N
MW244.33 g/mol
LogP0.82
Rot. Bonds7

About methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate

methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate (PubChem CID 170220008) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
PubChem CID170220008
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
SMILESCCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-6-9(13)11(15)14-10(7-8(2)3)12(16)17-4/h8-10H,5-7,13H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyQOSBLOKPGIXOJO-VHSXEESVSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
2-(2-aminopentanoylamino)-4-methylpentanoic acid
CID 5095064
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 15598024
methyl (2S)-2-[[(2S)-2-hydroxypentanoyl]amino]-4-methylpentanoate
CID 58691175
methyl (2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-4-methylpentanoate;hydrochloride
CID 129050762
methyl (2R)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]decanoate
CID 11738548
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl (2S)-2-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-4-methylpentanoate
CID 129404472
methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
CID 107568571
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate (CID 170220008) is methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate is CCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate?
The InChIKey is QOSBLOKPGIXOJO-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-6-9(13)11(15)14-10(7-8(2)3)12(16)17-4/h8-10H,5-7,13H2,1-4H3,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate?
methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 170220008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).