2-amino-3-decoxypropanoic acid

C13H27NO3 — CID 134329186

IUPAC2-amino-3-decoxypropanoic acid
SMILESCCCCCCCCCCOCC(N)C(=O)O
InChIInChI=1S/C13H27NO3/c1-2-3-4-5-6-7-8-9-10-17-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKeySLVKVPLSFLVIOD-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.56
Rot. Bonds12

About 2-amino-3-decoxypropanoic acid

2-amino-3-decoxypropanoic acid (PubChem CID 134329186) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-amino-3-decoxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-decoxypropanoic acid
PubChem CID134329186
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-amino-3-decoxypropanoic acid
SMILESCCCCCCCCCCOCC(N)C(=O)O
InChIInChI=1S/C13H27NO3/c1-2-3-4-5-6-7-8-9-10-17-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKeySLVKVPLSFLVIOD-UHFFFAOYSA-N
XLogP2.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-amino-3-octadecanoyloxypropanoic acid
CID 140580797
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
CID 174568583
2-amino-3-(3-aminopropoxy)propanoic acid
CID 18674791
(2S)-2-amino-3-[[(2S)-1-hexadecoxy-3-hydroxypropan-2-yl]oxy-hydroxyphosphoryl]oxypropanoic acid
CID 22865319
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2S)-2-amino-3-[hydroxy-[2-methoxy-3-(12-oxooctadecoxy)propoxy]phosphoryl]oxypropanoic acid
CID 10347213
2-amino-3-[(2-decanoyloxy-3-hexacosoxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
CID 165227427
2-amino-3-[hydroxy-(2-nonadecanoyloxy-3-tricosoxypropoxy)phosphoryl]oxypropanoic acid
CID 165202439
2-amino-3-[hydroxy-(2-tetradecanoyloxy-3-tetradecoxypropoxy)phosphoryl]oxypropanoic acid
CID 165293648
2-amino-3-[hydroxy-(2-icosanoyloxy-3-tridecoxypropoxy)phosphoryl]oxypropanoic acid
CID 165181627
2-amino-3-[(3-dodecoxy-2-heptadecanoyloxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
CID 165271039

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-decoxypropanoic acid?
The IUPAC name of 2-amino-3-decoxypropanoic acid (CID 134329186) is 2-amino-3-decoxypropanoic acid.
What is the SMILES notation for 2-amino-3-decoxypropanoic acid?
The canonical SMILES for 2-amino-3-decoxypropanoic acid is CCCCCCCCCCOCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-decoxypropanoic acid?
The InChIKey is SLVKVPLSFLVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-8-9-10-17-11-12(14)13(15)16/h12H,2-11,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-decoxypropanoic acid?
2-amino-3-decoxypropanoic acid has a molecular weight of 245.36 g/mol, XLogP of 2.56, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-decoxypropanoic acid is sourced from PubChem (CID 134329186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).