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

C15H19NO3 — CID 93320338

IUPACcis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C15H19NO3/c1-10(2)16(9-11-6-4-3-5-7-11)14(17)12-8-13(12)15(18)19/h3-7,10,12-13H,8-9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyKGODSVLYNLJOLX-OLZOCXBDSA-N
MW261.32 g/mol
LogP2.14
Rot. Bonds5

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

cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93320338) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93320338
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namecis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C15H19NO3/c1-10(2)16(9-11-6-4-3-5-7-11)14(17)12-8-13(12)15(18)19/h3-7,10,12-13H,8-9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyKGODSVLYNLJOLX-OLZOCXBDSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
1-N-benzyl-2-N-butyl-2-N-methyl-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139811
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 84563591
1-N-benzyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137207
1-N-benzyl-2-N-(4-tert-butylphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109139840
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859
cis-(1S,2R)-2-[ethyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93311627
4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390819
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93320338) is cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)N(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is KGODSVLYNLJOLX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)16(9-11-6-4-3-5-7-11)14(17)12-8-13(12)15(18)19/h3-7,10,12-13H,8-9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93320338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).