6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid

C11H20N2O3 — CID 65459092

IUPAC6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)C1(N)CC1)CCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2-3-9(14)15)4-7-13-10(16)11(12)5-6-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyDGWXBWSIUNGVMY-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.48
Rot. Bonds7

About 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid

6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid (PubChem CID 65459092) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
PubChem CID65459092
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)C1(N)CC1)CCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2-3-9(14)15)4-7-13-10(16)11(12)5-6-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyDGWXBWSIUNGVMY-UHFFFAOYSA-N
XLogP0.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid (CID 65459092) is 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid is CC(CCNC(=O)C1(N)CC1)CCC(=O)O.
What is the InChIKey of 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid?
The InChIKey is DGWXBWSIUNGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2-3-9(14)15)4-7-13-10(16)11(12)5-6-11/h8H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid?
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid is sourced from PubChem (CID 65459092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).