5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid

C14H26N2O4 — CID 64599578

IUPAC5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)C(C)CNC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(2)10(3)8-15-13(20)16-11(17)6-14(4,5)7-12(18)19/h9-10H,6-8H2,1-5H3,(H,18,19)(H2,15,16,17,20)
InChIKeyCZWRXTPNTLMKSC-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.00
Rot. Bonds7

About 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 64599578) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID64599578
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)C(C)CNC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(2)10(3)8-15-13(20)16-11(17)6-14(4,5)7-12(18)19/h9-10H,6-8H2,1-5H3,(H,18,19)(H2,15,16,17,20)
InChIKeyCZWRXTPNTLMKSC-UHFFFAOYSA-N
XLogP2.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282
5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 63838896
3,3-dimethyl-5-oxo-5-(pent-3-ynylcarbamoylamino)pentanoic acid
CID 116644377
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606
5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934620
5-(hex-5-ynylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 106213953
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
CID 83143403
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933762

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 64599578) is 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is CC(C)C(C)CNC(=O)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is CZWRXTPNTLMKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)10(3)8-15-13(20)16-11(17)6-14(4,5)7-12(18)19/h9-10H,6-8H2,1-5H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 64599578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).