1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 82764929

IUPAC1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCOC1)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-15(13(18)19)7-3-6-12(15)16-14(20)17(2)9-11-5-4-8-21-10-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOOADWGXTCVHZCM-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.70
Rot. Bonds4

About 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82764929) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82764929
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC1CCCOC1)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-15(13(18)19)7-3-6-12(15)16-14(20)17(2)9-11-5-4-8-21-10-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyOOADWGXTCVHZCM-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764928
2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764907
1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea
CID 129345044
1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760447
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 66166156
1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764495
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762632

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 82764929) is 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(CC1CCCOC1)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OOADWGXTCVHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(13(18)19)7-3-6-12(15)16-14(20)17(2)9-11-5-4-8-21-10-11/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).