2-(nonan-2-ylamino)propanoic acid

C12H25NO2 — CID 61499682

IUPAC2-(nonan-2-ylamino)propanoic acid
SMILESCCCCCCCC(C)NC(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-9-10(2)13-11(3)12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyWESGYYVOJLHOSY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.80
Rot. Bonds9

About 2-(nonan-2-ylamino)propanoic acid

2-(nonan-2-ylamino)propanoic acid (PubChem CID 61499682) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(nonan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(nonan-2-ylamino)propanoic acid
PubChem CID61499682
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(nonan-2-ylamino)propanoic acid
SMILESCCCCCCCC(C)NC(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-5-6-7-8-9-10(2)13-11(3)12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyWESGYYVOJLHOSY-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.80
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-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
(2S)-2-(3-methyldecan-4-ylamino)propanoic acid
CID 158660459
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
(2S)-2-(heptadecan-2-ylamino)pentanedioic acid
CID 121284331
N-(methylcarbamoyl)-2-(octan-2-ylamino)propanamide
CID 60677146
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-(pentadecan-2-ylamino)ethanol
CID 90985657
(2R)-2-[[(2S)-butan-2-yl]amino]propanoic acid
CID 93054816
2-(2-methylundecanoylamino)propanoic acid
CID 89211024

Frequently Asked Questions

What is the IUPAC name of 2-(nonan-2-ylamino)propanoic acid?
The IUPAC name of 2-(nonan-2-ylamino)propanoic acid (CID 61499682) is 2-(nonan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(nonan-2-ylamino)propanoic acid?
The canonical SMILES for 2-(nonan-2-ylamino)propanoic acid is CCCCCCCC(C)NC(C)C(=O)O.
What is the InChIKey of 2-(nonan-2-ylamino)propanoic acid?
The InChIKey is WESGYYVOJLHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-5-6-7-8-9-10(2)13-11(3)12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(nonan-2-ylamino)propanoic acid?
2-(nonan-2-ylamino)propanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonan-2-ylamino)propanoic acid is sourced from PubChem (CID 61499682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).