2-carbamoylheptanoic acid;hydrochloride

C8H16ClNO3 — CID 175556394

IUPAC2-carbamoylheptanoic acid;hydrochloride
SMILESCCCCCC(C(N)=O)C(=O)O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-3-4-5-6(7(9)10)8(11)12;/h6H,2-5H2,1H3,(H2,9,10)(H,11,12);1H
InChIKeyQRZBIEAWZDKQJE-UHFFFAOYSA-N
MW209.67 g/mol
LogP1.17
Rot. Bonds6

About 2-carbamoylheptanoic acid;hydrochloride

2-carbamoylheptanoic acid;hydrochloride (PubChem CID 175556394) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-carbamoylheptanoic acid;hydrochloride.

Molecular Properties

Compound Name2-carbamoylheptanoic acid;hydrochloride
PubChem CID175556394
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-carbamoylheptanoic acid;hydrochloride
SMILESCCCCCC(C(N)=O)C(=O)O.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-3-4-5-6(7(9)10)8(11)12;/h6H,2-5H2,1H3,(H2,9,10)(H,11,12);1H
InChIKeyQRZBIEAWZDKQJE-UHFFFAOYSA-N
XLogP1.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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2-octylpropanedioic acid
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2-icosylpropanedioic acid
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2-carbamothioylheptanoic acid
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CID 87134690
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CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
(2R,3R)-3-amino-2-hydroxyoctanoic acid
CID 10749769
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CID 174702974

Frequently Asked Questions

What is the IUPAC name of 2-carbamoylheptanoic acid;hydrochloride?
The IUPAC name of 2-carbamoylheptanoic acid;hydrochloride (CID 175556394) is 2-carbamoylheptanoic acid;hydrochloride.
What is the SMILES notation for 2-carbamoylheptanoic acid;hydrochloride?
The canonical SMILES for 2-carbamoylheptanoic acid;hydrochloride is CCCCCC(C(N)=O)C(=O)O.Cl.
What is the InChIKey of 2-carbamoylheptanoic acid;hydrochloride?
The InChIKey is QRZBIEAWZDKQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-3-4-5-6(7(9)10)8(11)12;/h6H,2-5H2,1H3,(H2,9,10)(H,11,12);1H.
What are the key properties of 2-carbamoylheptanoic acid;hydrochloride?
2-carbamoylheptanoic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylheptanoic acid;hydrochloride is sourced from PubChem (CID 175556394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).