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

C10H19N3O4 — CID 114006033

IUPAC(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)C(N)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8?/m1/s1
InChIKeyXXDVDTMEVBYRPK-XPJFZRNWSA-N
MW245.28 g/mol
LogP-1.20
Rot. Bonds7

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

(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid (PubChem CID 114006033) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
PubChem CID114006033
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)C(N)C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8?/m1/s1
InChIKeyXXDVDTMEVBYRPK-XPJFZRNWSA-N
XLogP-1.20
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 145458847
5-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18232276
4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 18232330
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 11247800
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 113342344
(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 46175346
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
5-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18224255
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 71402523
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18240507

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid (CID 114006033) is (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid is CC(C)C(N)C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid?
The InChIKey is XXDVDTMEVBYRPK-XPJFZRNWSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8?/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.20, 7 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-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 114006033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).