5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid

C11H20N2O4 — CID 106275549

IUPAC5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C11H20N2O4/c1-7(5-9(15)16)4-8(14)13-6-11(2,3)10(12)17/h7H,4-6H2,1-3H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyNZFGIVDNYYRIFR-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.12
Rot. Bonds7

About 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid

5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 106275549) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID106275549
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C11H20N2O4/c1-7(5-9(15)16)4-8(14)13-6-11(2,3)10(12)17/h7H,4-6H2,1-3H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyNZFGIVDNYYRIFR-UHFFFAOYSA-N
XLogP0.12
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65108474
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
CID 114167246
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide
CID 56820054
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 106279290
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]pentanoic acid
CID 114167594

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid (CID 106275549) is 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is NZFGIVDNYYRIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(5-9(15)16)4-8(14)13-6-11(2,3)10(12)17/h7H,4-6H2,1-3H3,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid?
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 106275549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).