5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid

C14H26N2O4 — CID 62933762

IUPAC5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCC(CC)NC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-7-10(6-2)15-13(20)16-11(17)8-14(3,4)9-12(18)19/h10H,5-9H2,1-4H3,(H,18,19)(H2,15,16,17,20)
InChIKeyNWLNXMUERJHZBA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.28
Rot. Bonds8

About 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid

5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933762) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933762
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCC(CC)NC(=O)NC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-7-10(6-2)15-13(20)16-11(17)8-14(3,4)9-12(18)19/h10H,5-9H2,1-4H3,(H,18,19)(H2,15,16,17,20)
InChIKeyNWLNXMUERJHZBA-UHFFFAOYSA-N
XLogP2.28
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-ethylpentan-2-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 63838896
2,2-dimethyl-4-(octan-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 106019803
5-[[(2S)-1-hydroxybutan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107214897
3,3-dimethyl-5-(methylcarbamoylamino)-5-oxopentanoic acid
CID 62935282
3,3-dimethyl-5-[[methyl(pentan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62933414
3,3-dimethyl-5-oxo-5-(pent-1-yn-3-ylamino)pentanoic acid
CID 106223896
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536
3-(octan-4-ylcarbamoylamino)pentanoic acid
CID 106020637
5-(2,3-dimethylbutylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64599578
5-(carbamoylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934613
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
1-butyl-3-hexan-3-ylurea
CID 115596662

Frequently Asked Questions

What is the IUPAC name of 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid (CID 62933762) is 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is CCCC(CC)NC(=O)NC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is NWLNXMUERJHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-7-10(6-2)15-13(20)16-11(17)8-14(3,4)9-12(18)19/h10H,5-9H2,1-4H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexan-3-ylcarbamoylamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).