3-(cyclopentylamino)propanoic acid;hydrochloride

C8H16ClNO2 — CID 47002251

IUPAC3-(cyclopentylamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC1CCCC1
InChIInChI=1S/C8H15NO2.ClH/c10-8(11)5-6-9-7-3-1-2-4-7;/h7,9H,1-6H2,(H,10,11);1H
InChIKeyDVKFHGSDCQOADW-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.42
Rot. Bonds4

About 3-(cyclopentylamino)propanoic acid;hydrochloride

3-(cyclopentylamino)propanoic acid;hydrochloride (PubChem CID 47002251) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 3-(cyclopentylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(cyclopentylamino)propanoic acid;hydrochloride
PubChem CID47002251
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name3-(cyclopentylamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC1CCCC1
InChIInChI=1S/C8H15NO2.ClH/c10-8(11)5-6-9-7-3-1-2-4-7;/h7,9H,1-6H2,(H,10,11);1H
InChIKeyDVKFHGSDCQOADW-UHFFFAOYSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)propanoic acid;hydrochloride?
The IUPAC name of 3-(cyclopentylamino)propanoic acid;hydrochloride (CID 47002251) is 3-(cyclopentylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(cyclopentylamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-(cyclopentylamino)propanoic acid;hydrochloride is Cl.O=C(O)CCNC1CCCC1.
What is the InChIKey of 3-(cyclopentylamino)propanoic acid;hydrochloride?
The InChIKey is DVKFHGSDCQOADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c10-8(11)5-6-9-7-3-1-2-4-7;/h7,9H,1-6H2,(H,10,11);1H.
What are the key properties of 3-(cyclopentylamino)propanoic acid;hydrochloride?
3-(cyclopentylamino)propanoic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 47002251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).