acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine

C11H15NO2 — CID 22216545

IUPACacetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
SMILESCC(=O)O.N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N.C2H4O2/c10-9-6-8(9)7-4-2-1-3-5-7;1-2(3)4/h1-5,8-9H,6,10H2;1H3,(H,3,4)/t8-,9+;/m0./s1
InChIKeyKOVXOTLMDZIQTD-OULXEKPRSA-N
MW193.25 g/mol
LogP1.59
Rot. Bonds1

About acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine

acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine (PubChem CID 22216545) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nameacetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
PubChem CID22216545
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameacetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
SMILESCC(=O)O.N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C9H11N.C2H4O2/c10-9-6-8(9)7-4-2-1-3-5-7;1-2(3)4/h1-5,8-9H,6,10H2;1H3,(H,3,4)/t8-,9+;/m0./s1
InChIKeyKOVXOTLMDZIQTD-OULXEKPRSA-N
XLogP1.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
4-[(1S,2S)-2-aminocyclopropyl]benzoic acid
CID 124506637
4-[(1S,2R)-2-aminocyclopropyl]benzoic acid;hydrochloride
CID 140688673
CID 75994277
CID 75994277
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
CID 98233070
1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286
N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
CID 154193937
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109

Frequently Asked Questions

What is the IUPAC name of acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The IUPAC name of acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine (CID 22216545) is acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The canonical SMILES for acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine is CC(=O)O.N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
The InChIKey is KOVXOTLMDZIQTD-OULXEKPRSA-N. The full InChI is InChI=1S/C9H11N.C2H4O2/c10-9-6-8(9)7-4-2-1-3-5-7;1-2(3)4/h1-5,8-9H,6,10H2;1H3,(H,3,4)/t8-,9+;/m0./s1.
What are the key properties of acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine?
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 22216545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).