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

C14H17NO4 — CID 93378560

IUPACcis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C2CC2)o1
InChIInChI=1S/C14H17NO4/c1-8-2-5-10(19-8)7-15(9-3-4-9)13(16)11-6-12(11)14(17)18/h2,5,9,11-12H,3-4,6-7H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyHCKMDXXBPIAYSN-NEPJUHHUSA-N
MW263.29 g/mol
LogP1.80
Rot. Bonds5

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

cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93378560) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93378560
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namecis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C2CC2)o1
InChIInChI=1S/C14H17NO4/c1-8-2-5-10(19-8)7-15(9-3-4-9)13(16)11-6-12(11)14(17)18/h2,5,9,11-12H,3-4,6-7H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyHCKMDXXBPIAYSN-NEPJUHHUSA-N
XLogP1.80
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-methylphenyl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948626
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
N-cyclopropyl-4-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 54872068
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 54872044
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221615
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 93378560) is cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)O)C2CC2)o1.
What is the InChIKey of cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HCKMDXXBPIAYSN-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8-2-5-10(19-8)7-15(9-3-4-9)13(16)11-6-12(11)14(17)18/h2,5,9,11-12H,3-4,6-7H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93378560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).