1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

C14H21N3O4 — CID 115434434

IUPAC1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1CNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H21N3O4/c1-9-11(10(2)21-17-9)7-15-13(20)16-8-14(12(18)19)5-3-4-6-14/h3-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyVPEZSJMIROQBCN-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.74
Rot. Bonds5

About 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434434) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434434
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCc1noc(C)c1CNC(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H21N3O4/c1-9-11(10(2)21-17-9)7-15-13(20)16-8-14(12(18)19)5-3-4-6-14/h3-8H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyVPEZSJMIROQBCN-UHFFFAOYSA-N
XLogP1.74
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid (CID 115434434) is 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is Cc1noc(C)c1CNC(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is VPEZSJMIROQBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-11(10(2)21-17-9)7-15-13(20)16-8-14(12(18)19)5-3-4-6-14/h3-8H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).