6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid

C15H30N2O4 — CID 65287610

IUPAC6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)N(CCCO)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O4/c1-12(2)17(10-5-11-18)14(21)16-9-8-15(3,4)7-6-13(19)20/h12,18H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyPWWDWWIJOISIJL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.07
Rot. Bonds10

About 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid

6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65287610) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65287610
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)N(CCCO)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C15H30N2O4/c1-12(2)17(10-5-11-18)14(21)16-9-8-15(3,4)7-6-13(19)20/h12,18H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyPWWDWWIJOISIJL-UHFFFAOYSA-N
XLogP2.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4-[pent-4-ynylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 106222810
6-[[butyl(cyclopropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287303
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934926

Frequently Asked Questions

What is the IUPAC name of 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65287610) is 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid is CC(C)N(CCCO)C(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is PWWDWWIJOISIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-12(2)17(10-5-11-18)14(21)16-9-8-15(3,4)7-6-13(19)20/h12,18H,5-11H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).