3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

C14H24N2O5 — CID 63707561

IUPAC3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C14H24N2O5/c1-10(8-13(18)19)7-12(17)15-14(20)16(2)9-11-3-5-21-6-4-11/h10-11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyBGBVGHHVMREIDT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds6

About 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid

3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 63707561) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID63707561
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C14H24N2O5/c1-10(8-13(18)19)7-12(17)15-14(20)16(2)9-11-3-5-21-6-4-11/h10-11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyBGBVGHHVMREIDT-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301944
5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965679
(2S)-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanedioic acid
CID 63707575
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 62861745
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62942041
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 78918801
2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64699572
3-methyl-5-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62966387

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 63707561) is 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)N(C)CC1CCOCC1.
What is the InChIKey of 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is BGBVGHHVMREIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10(8-13(18)19)7-12(17)15-14(20)16(2)9-11-3-5-21-6-4-11/h10-11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20).
What are the key properties of 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid?
3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 63707561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).