(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid

C11H20N2O5 — CID 65229065

IUPAC(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
SMILESCC(C)C(CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)7(5-12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyIAMOIIQZXAOCRO-MQWKRIRWSA-N
MW260.29 g/mol
LogP-0.35
Rot. Bonds8

About (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid

(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid (PubChem CID 65229065) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
PubChem CID65229065
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
SMILESCC(C)C(CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-6(2)7(5-12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1
InChIKeyIAMOIIQZXAOCRO-MQWKRIRWSA-N
XLogP-0.35
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid 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

(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 107830332
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
(2S)-2-[[(2R)-2,3-dimethylbutanoyl]amino]pentanedioic acid
CID 176727519
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
(2R)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioic acid;hydrochloride
CID 88754532
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
2-[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoylamino]pentanedioic acid
CID 18492238
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 65227476
2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid
CID 18491419
(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]pentanedioic acid
CID 7009625
(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87874231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid (CID 65229065) is (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid is CC(C)C(CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid?
The InChIKey is IAMOIIQZXAOCRO-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-6(2)7(5-12)10(16)13-8(11(17)18)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid?
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid has a molecular weight of 260.29 g/mol, XLogP of -0.35, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid is sourced from PubChem (CID 65229065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).