5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid

C15H28N2O4 — CID 63838896

IUPAC5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCC(CC)C(C)NC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H28N2O4/c1-6-11(7-2)10(3)16-14(21)17-12(18)8-15(4,5)9-13(19)20/h10-11H,6-9H2,1-5H3,(H,19,20)(H2,16,17,18,21)
InChIKeyPYBWSCVKBLQGET-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.53
Rot. Bonds8

About 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 63838896) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID63838896
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCC(CC)C(C)NC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H28N2O4/c1-6-11(7-2)10(3)16-14(21)17-12(18)8-15(4,5)9-13(19)20/h10-11H,6-9H2,1-5H3,(H,19,20)(H2,16,17,18,21)
InChIKeyPYBWSCVKBLQGET-UHFFFAOYSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933762
3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107214897
4-(3-ethylpentan-2-ylcarbamoylamino)-4-oxobut-2-enoic acid
CID 77009574
3,3-dimethyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62934606
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
2-chloro-N-(3-ethylpentan-2-ylcarbamoyl)propanamide
CID 63837506
3-(3-ethylpentan-2-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265715
3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62933414

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 63838896) is 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is CCC(CC)C(C)NC(=O)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is PYBWSCVKBLQGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-11(7-2)10(3)16-14(21)17-12(18)8-15(4,5)9-13(19)20/h10-11H,6-9H2,1-5H3,(H,19,20)(H2,16,17,18,21).
What are the key properties of 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 63838896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).