2-aminopropanoic acid;N-pentylpentan-1-amine

C13H30N2O2 — CID 174916137

IUPAC2-aminopropanoic acid;N-pentylpentan-1-amine
SMILESCC(N)C(=O)O.CCCCCNCCCCC
InChIInChI=1S/C10H23N.C3H7NO2/c1-3-5-7-9-11-10-8-6-4-2;1-2(4)3(5)6/h11H,3-10H2,1-2H3;2H,4H2,1H3,(H,5,6)
InChIKeyQBTVKCWDRXDQPY-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.37
Rot. Bonds9

About 2-aminopropanoic acid;N-pentylpentan-1-amine

2-aminopropanoic acid;N-pentylpentan-1-amine (PubChem CID 174916137) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-aminopropanoic acid;N-pentylpentan-1-amine.

Molecular Properties

Compound Name2-aminopropanoic acid;N-pentylpentan-1-amine
PubChem CID174916137
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-aminopropanoic acid;N-pentylpentan-1-amine
SMILESCC(N)C(=O)O.CCCCCNCCCCC
InChIInChI=1S/C10H23N.C3H7NO2/c1-3-5-7-9-11-10-8-6-4-2;1-2(4)3(5)6/h11H,3-10H2,1-2H3;2H,4H2,1H3,(H,5,6)
InChIKeyQBTVKCWDRXDQPY-UHFFFAOYSA-N
XLogP2.37
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopropanoic acid;N-octylformamide
CID 87695548
carbonic acid;N-hexylhexan-1-amine
CID 174995198
2-butyl-6-(pentylamino)hexanoic acid
CID 91087810
bis((2S)-2-aminopropanoic acid);bis(16-(2-hydroxyethylamino)hexadecanoic acid)
CID 173329449
(2S)-2-aminopropanoic acid;decanoic acid
CID 89052337
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
2-aminopropanoic acid;1-chlorobutane
CID 174644426
3-(pentylamino)propanoic acid
CID 28830294
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102
4-(hexylamino)-2-methyl-3-oxobutanoic acid
CID 141363950
2-amino-3-(dodecylamino)butanoic acid
CID 19010239

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;N-pentylpentan-1-amine?
The IUPAC name of 2-aminopropanoic acid;N-pentylpentan-1-amine (CID 174916137) is 2-aminopropanoic acid;N-pentylpentan-1-amine.
What is the SMILES notation for 2-aminopropanoic acid;N-pentylpentan-1-amine?
The canonical SMILES for 2-aminopropanoic acid;N-pentylpentan-1-amine is CC(N)C(=O)O.CCCCCNCCCCC.
What is the InChIKey of 2-aminopropanoic acid;N-pentylpentan-1-amine?
The InChIKey is QBTVKCWDRXDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C3H7NO2/c1-3-5-7-9-11-10-8-6-4-2;1-2(4)3(5)6/h11H,3-10H2,1-2H3;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;N-pentylpentan-1-amine?
2-aminopropanoic acid;N-pentylpentan-1-amine has a molecular weight of 246.39 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;N-pentylpentan-1-amine is sourced from PubChem (CID 174916137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).