(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid

C11H21N3O4 — CID 107830332

IUPAC(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
SMILESCC(C)C(CN)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6(2)7(5-12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t7?,8-/m1/s1
InChIKeyVSCPFLFECGEVNB-BRFYHDHCSA-N
MW259.31 g/mol
LogP-0.95
Rot. Bonds8

About (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid (PubChem CID 107830332) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
PubChem CID107830332
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid
SMILESCC(C)C(CN)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-6(2)7(5-12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t7?,8-/m1/s1
InChIKeyVSCPFLFECGEVNB-BRFYHDHCSA-N
XLogP-0.95
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]pentanedioic acid
CID 65229065
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82786905
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18240507
(2S)-5-amino-5-oxo-2-[[(2S)-2-sulfanylpropanoyl]amino]pentanoic acid
CID 142184881
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
(2R)-5-amino-2-[(5-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 107830220
(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
CID 107830111
5-amino-2-[[2-[[5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18487508
5-amino-2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18485128
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18219731

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid (CID 107830332) is (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid is CC(C)C(CN)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid?
The InChIKey is VSCPFLFECGEVNB-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-6(2)7(5-12)10(16)14-8(11(17)18)3-4-9(13)15/h6-8H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.95, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).