2-(pentylamino)propanoic acid

C8H17NO2 — CID 43467235

IUPAC2-(pentylamino)propanoic acid
SMILESCCCCCNC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-3-4-5-6-9-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyQHRHSDCXMKAXDH-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds6

About 2-(pentylamino)propanoic acid

2-(pentylamino)propanoic acid (PubChem CID 43467235) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(pentylamino)propanoic acid.

Molecular Properties

Compound Name2-(pentylamino)propanoic acid
PubChem CID43467235
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(pentylamino)propanoic acid
SMILESCCCCCNC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-3-4-5-6-9-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyQHRHSDCXMKAXDH-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
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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Related Compounds

2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
CID 162321120
CID 162321120
sodium;hydride;methane;2-(pentylamino)propanoic acid
CID 174916781
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-methyl-3-(pentylamino)butanoic acid
CID 79391822
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
disodium bis(2-(dodecylamino)propanoate)
CID 141188240
methyl 2-(octylamino)propanoate
CID 60780709

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)propanoic acid?
The IUPAC name of 2-(pentylamino)propanoic acid (CID 43467235) is 2-(pentylamino)propanoic acid.
What is the SMILES notation for 2-(pentylamino)propanoic acid?
The canonical SMILES for 2-(pentylamino)propanoic acid is CCCCCNC(C)C(=O)O.
What is the InChIKey of 2-(pentylamino)propanoic acid?
The InChIKey is QHRHSDCXMKAXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-4-5-6-9-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-(pentylamino)propanoic acid?
2-(pentylamino)propanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)propanoic acid is sourced from PubChem (CID 43467235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).