2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid

C15H28N2O4 — CID 82730588

IUPAC2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)N(C)C1CCOC1C
InChIInChI=1S/C15H28N2O4/c1-10(14(18)19)6-5-7-11(2)16-15(20)17(4)13-8-9-21-12(13)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeySBNAYOMTGVTZNZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.08
Rot. Bonds7

About 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid

2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid (PubChem CID 82730588) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid
PubChem CID82730588
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)N(C)C1CCOC1C
InChIInChI=1S/C15H28N2O4/c1-10(14(18)19)6-5-7-11(2)16-15(20)17(4)13-8-9-21-12(13)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeySBNAYOMTGVTZNZ-UHFFFAOYSA-N
XLogP2.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
CID 107567425
2-cyclopropyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]acetic acid
CID 82742663
5-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 104685498
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
CID 82729817
3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82734199
5-amino-N-methyl-N-(2-methyloxolan-3-yl)hexanamide
CID 82853868
3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
CID 82718981
3-(ethylamino)-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738487
2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82740401
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 82730247
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid (CID 82730588) is 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)N(C)C1CCOC1C.
What is the InChIKey of 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid?
The InChIKey is SBNAYOMTGVTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(14(18)19)6-5-7-11(2)16-15(20)17(4)13-8-9-21-12(13)3/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid?
2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 82730588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).