cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

C11H14N2O4 — CID 93320943

IUPACcis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)no1
InChIInChI=1S/C11H14N2O4/c1-6-3-7(12-17-6)5-13(2)10(14)8-4-9(8)11(15)16/h3,8-9H,4-5H2,1-2H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyRMONDHOQWNRESG-BDAKNGLRSA-N
MW238.24 g/mol
LogP0.66
Rot. Bonds4

About cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93320943) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93320943
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namecis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)no1
InChIInChI=1S/C11H14N2O4/c1-6-3-7(12-17-6)5-13(2)10(14)8-4-9(8)11(15)16/h3,8-9H,4-5H2,1-2H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyRMONDHOQWNRESG-BDAKNGLRSA-N
XLogP0.66
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63716443
cis-(1R,2S)-2-(4-bromophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94815781
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 64822535
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119729303
trans-(1R,2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379121
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292510
cis-(1S,3S)-N,2,2-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94151392
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 93320943) is cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)no1.
What is the InChIKey of cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is RMONDHOQWNRESG-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-3-7(12-17-6)5-13(2)10(14)8-4-9(8)11(15)16/h3,8-9H,4-5H2,1-2H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93320943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).