decan-1-amine;2-hydroxypropanoic acid

C13H29NO3 — CID 88700123

IUPACdecan-1-amine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11;1-2(4)3(5)6/h2-11H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyKCGCABRSSCYUEN-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.54
Rot. Bonds9

About decan-1-amine;2-hydroxypropanoic acid

decan-1-amine;2-hydroxypropanoic acid (PubChem CID 88700123) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is decan-1-amine;2-hydroxypropanoic acid.

Molecular Properties

Compound Namedecan-1-amine;2-hydroxypropanoic acid
PubChem CID88700123
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Namedecan-1-amine;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11;1-2(4)3(5)6/h2-11H2,1H3;2,4H,1H3,(H,5,6)
InChIKeyKCGCABRSSCYUEN-UHFFFAOYSA-N
XLogP2.54
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.54
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

dodecan-1-amine;bis(propan-2-ol)
CID 19742183
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;hexan-1-amine
CID 174564294
carbamic acid;hexan-1-amine
CID 158177123
hexacosan-1-ol;2-hydroxypropanoic acid
CID 175494686
octan-1-amine;propanoic acid
CID 87949597
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
hexadecan-1-amine;propan-2-one
CID 175396285
butan-1-ol;ethanol;2-hydroxypropanoic acid
CID 158306418
acetamide;decan-1-amine
CID 160911015
hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
CID 174723566
hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;2-hydroxypropanoic acid?
The IUPAC name of decan-1-amine;2-hydroxypropanoic acid (CID 88700123) is decan-1-amine;2-hydroxypropanoic acid.
What is the SMILES notation for decan-1-amine;2-hydroxypropanoic acid?
The canonical SMILES for decan-1-amine;2-hydroxypropanoic acid is CC(O)C(=O)O.CCCCCCCCCCN.
What is the InChIKey of decan-1-amine;2-hydroxypropanoic acid?
The InChIKey is KCGCABRSSCYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11;1-2(4)3(5)6/h2-11H2,1H3;2,4H,1H3,(H,5,6).
What are the key properties of decan-1-amine;2-hydroxypropanoic acid?
decan-1-amine;2-hydroxypropanoic acid has a molecular weight of 247.38 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;2-hydroxypropanoic acid is sourced from PubChem (CID 88700123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).