cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid

C12H13NO3 — CID 51776902

IUPACcis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ccccc1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C12H13NO3/c14-11(9-6-10(9)12(15)16)13-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)/t9-,10+/m0/s1
InChIKeyFUWHNFZMBCQYGY-VHSXEESVSA-N
MW219.24 g/mol
LogP1.02
Rot. Bonds4

About cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 51776902) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID51776902
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namecis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ccccc1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C12H13NO3/c14-11(9-6-10(9)12(15)16)13-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)/t9-,10+/m0/s1
InChIKeyFUWHNFZMBCQYGY-VHSXEESVSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
trans-(1S,2S)-2-[[4-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131684
2-[(4-cyanophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54936404
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182498
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119719
2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067
trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid (CID 51776902) is cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(NCc1ccccc1)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is FUWHNFZMBCQYGY-VHSXEESVSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11(9-6-10(9)12(15)16)13-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)(H,15,16)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51776902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).