methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate

C11H22N2O3 — CID 107568571

IUPACmethyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
SMILESCCC[C@@H](N)C(=O)N[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-6-8(12)10(14)13-9(7(2)3)11(15)16-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyZNYVKKPCYXAZNY-BDAKNGLRSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds6

About methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate

methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate (PubChem CID 107568571) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
PubChem CID107568571
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
SMILESCCC[C@@H](N)C(=O)N[C@H](C(=O)OC)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-6-8(12)10(14)13-9(7(2)3)11(15)16-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyZNYVKKPCYXAZNY-BDAKNGLRSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylbutanoate
CID 57114090
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626
methyl (2S)-2-[(2-amino-3-methoxypropanoyl)amino]-3-methylbutanoate
CID 81083004
2-amino-N-(3-methylbutan-2-yl)pentanamide
CID 43650228
methyl (2R)-2-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoate
CID 170220008
methyl 2-aminopentanoate
CID 533890
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844
2-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pentanamide
CID 79249157
methyl (2S)-2-[[(2R,3R)-2,3-dihydroxy-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate
CID 102349924
diethyl 2-(2-aminopentanoylamino)propanedioate
CID 119275264
methyl (2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutanoate
CID 113353339
3-[[(2S)-2-aminopentanoyl]amino]-4-methylpentanoic acid
CID 107570372

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate (CID 107568571) is methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate is CCC[C@@H](N)C(=O)N[C@H](C(=O)OC)C(C)C.
What is the InChIKey of methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate?
The InChIKey is ZNYVKKPCYXAZNY-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-6-8(12)10(14)13-9(7(2)3)11(15)16-4/h7-9H,5-6,12H2,1-4H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate?
methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 107568571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).