2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid

C15H26N2O4 — CID 61435932

IUPAC2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CCCCO1)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c1-16(10-13-8-4-5-9-21-13)15(20)17(11-14(18)19)12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyWPUODRURGXHZLQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 61435932) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID61435932
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CCCCO1)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H26N2O4/c1-16(10-13-8-4-5-9-21-13)15(20)17(11-14(18)19)12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyWPUODRURGXHZLQ-UHFFFAOYSA-N
XLogP1.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
2-[cyclopentyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61203827
N-methyl-N-(oxan-2-ylmethyl)prop-2-enamide
CID 61435743
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid (CID 61435932) is 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid is CN(CC1CCCCO1)C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is WPUODRURGXHZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-16(10-13-8-4-5-9-21-13)15(20)17(11-14(18)19)12-6-2-3-7-12/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61435932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).