5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride

C14H21ClN2O — CID 67115781

IUPAC5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
SMILESCl.NC(=O)CCCCN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O.ClH/c15-14(17)8-4-5-9-16-13-10-12(13)11-6-2-1-3-7-11;/h1-3,6-7,12-13,16H,4-5,8-10H2,(H2,15,17);1H/t12-,13+;/m0./s1
InChIKeySIQWVIGTZVCYHO-JHEYCYPBSA-N
MW268.79 g/mol
LogP2.21
Rot. Bonds7

About 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride

5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride (PubChem CID 67115781) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride.

Molecular Properties

Compound Name5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
PubChem CID67115781
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
SMILESCl.NC(=O)CCCCN[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2O.ClH/c15-14(17)8-4-5-9-16-13-10-12(13)11-6-2-1-3-7-11;/h1-3,6-7,12-13,16H,4-5,8-10H2,(H2,15,17);1H/t12-,13+;/m0./s1
InChIKeySIQWVIGTZVCYHO-JHEYCYPBSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride?
The IUPAC name of 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride (CID 67115781) is 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride.
What is the SMILES notation for 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride?
The canonical SMILES for 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride is Cl.NC(=O)CCCCN[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride?
The InChIKey is SIQWVIGTZVCYHO-JHEYCYPBSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c15-14(17)8-4-5-9-16-13-10-12(13)11-6-2-1-3-7-11;/h1-3,6-7,12-13,16H,4-5,8-10H2,(H2,15,17);1H/t12-,13+;/m0./s1.
What are the key properties of 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride?
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride is sourced from PubChem (CID 67115781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).