cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid

C14H18N2O3 — CID 93378868

IUPACcis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(2)16(8-10-5-3-4-6-15-10)13(17)11-7-12(11)14(18)19/h3-6,9,11-12H,7-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyVMRXDWRTNOJFEV-NEPJUHHUSA-N
MW262.31 g/mol
LogP1.54
Rot. Bonds5

About cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93378868) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93378868
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namecis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(2)16(8-10-5-3-4-6-15-10)13(17)11-7-12(11)14(18)19/h3-6,9,11-12H,7-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyVMRXDWRTNOJFEV-NEPJUHHUSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388294
(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 81129457
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
CID 94625593
2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
1-methyl-2-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 75461730
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 94822499
1-amino-N-propan-2-yl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 54872425
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93378868) is cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)N(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is VMRXDWRTNOJFEV-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)16(8-10-5-3-4-6-15-10)13(17)11-7-12(11)14(18)19/h3-6,9,11-12H,7-8H2,1-2H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.54, 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-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93378868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).