5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid

C10H19N3O4 — CID 115426530

IUPAC5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CN)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,5-11)9(17)13-6(8(15)16)3-4-7(12)14/h6H,3-5,11H2,1-2H3,(H2,12,14)(H,13,17)(H,15,16)
InChIKeyVJMPGBPPVBCPOQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.19
Rot. Bonds7

About 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid

5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid (PubChem CID 115426530) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
PubChem CID115426530
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CN)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,5-11)9(17)13-6(8(15)16)3-4-7(12)14/h6H,3-5,11H2,1-2H3,(H2,12,14)(H,13,17)(H,15,16)
InChIKeyVJMPGBPPVBCPOQ-UHFFFAOYSA-N
XLogP-1.19
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 ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
(2R)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanedioic acid
CID 107835553
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]hexanoic acid
CID 107146867
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937
5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
CID 114032465
(2S)-2-[(3-amino-2,2-dimethylpropanoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 113307659
5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
CID 65292107
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid (CID 115426530) is 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid is CC(C)(CN)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid?
The InChIKey is VJMPGBPPVBCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,5-11)9(17)13-6(8(15)16)3-4-7(12)14/h6H,3-5,11H2,1-2H3,(H2,12,14)(H,13,17)(H,15,16).
What are the key properties of 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.19, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 115426530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).