5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid

C13H24N2O4 — CID 82848497

IUPAC5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CC1CCCO1
InChIInChI=1S/C13H24N2O4/c1-10(5-3-7-12(16)17)14-13(18)15(2)9-11-6-4-8-19-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNVGBNMAYIQIKHE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.45
Rot. Bonds7

About 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid

5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid (PubChem CID 82848497) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
PubChem CID82848497
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N(C)CC1CCCO1
InChIInChI=1S/C13H24N2O4/c1-10(5-3-7-12(16)17)14-13(18)15(2)9-11-6-4-8-19-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyNVGBNMAYIQIKHE-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
5-[[cyclopentylmethyl(methyl)carbamoyl]amino]hexanoic acid
CID 82848349
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
5-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61435718
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
(2R)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 80756732
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid (CID 82848497) is 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N(C)CC1CCCO1.
What is the InChIKey of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is NVGBNMAYIQIKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(5-3-7-12(16)17)14-13(18)15(2)9-11-6-4-8-19-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 82848497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).