(10R)-10-(2-hydroxyethylamino)undecanoic acid

C13H27NO3 — CID 102119671

IUPAC(10R)-10-(2-hydroxyethylamino)undecanoic acid
SMILESC[C@H](CCCCCCCCC(=O)O)NCCO
InChIInChI=1S/C13H27NO3/c1-12(14-10-11-15)8-6-4-2-3-5-7-9-13(16)17/h12,14-15H,2-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyIPWBIOMPMRVHFZ-GFCCVEGCSA-N
MW245.36 g/mol
LogP2.16
Rot. Bonds12

About (10R)-10-(2-hydroxyethylamino)undecanoic acid

(10R)-10-(2-hydroxyethylamino)undecanoic acid (PubChem CID 102119671) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is (10R)-10-(2-hydroxyethylamino)undecanoic acid.

Molecular Properties

Compound Name(10R)-10-(2-hydroxyethylamino)undecanoic acid
PubChem CID102119671
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(10R)-10-(2-hydroxyethylamino)undecanoic acid
SMILESC[C@H](CCCCCCCCC(=O)O)NCCO
InChIInChI=1S/C13H27NO3/c1-12(14-10-11-15)8-6-4-2-3-5-7-9-13(16)17/h12,14-15H,2-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyIPWBIOMPMRVHFZ-GFCCVEGCSA-N
XLogP2.16
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (10R)-10-(2-hydroxyethylamino)undecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

formaldehyde;methanol;18-(pentylamino)nonadecanoic acid
CID 145026869
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
hexadecanoic acid;2-(2-hydroxyethylamino)icosan-1-ol
CID 90146184
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
11-hydroxy-8-methylundecanoic acid
CID 87789890
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385
18-amino-17-(15-carboxypentadecylamino)nonadecanoic acid
CID 54385697
19-methylheptatriacontanedioic acid
CID 141009772
16-methylheptadecanoic acid
CID 87200881
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);16-methylheptadecanoic acid
CID 88729914
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(2-hydroxyethylamino)undecanoic acid?
The IUPAC name of (10R)-10-(2-hydroxyethylamino)undecanoic acid (CID 102119671) is (10R)-10-(2-hydroxyethylamino)undecanoic acid.
What is the SMILES notation for (10R)-10-(2-hydroxyethylamino)undecanoic acid?
The canonical SMILES for (10R)-10-(2-hydroxyethylamino)undecanoic acid is C[C@H](CCCCCCCCC(=O)O)NCCO.
What is the InChIKey of (10R)-10-(2-hydroxyethylamino)undecanoic acid?
The InChIKey is IPWBIOMPMRVHFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H27NO3/c1-12(14-10-11-15)8-6-4-2-3-5-7-9-13(16)17/h12,14-15H,2-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (10R)-10-(2-hydroxyethylamino)undecanoic acid?
(10R)-10-(2-hydroxyethylamino)undecanoic acid has a molecular weight of 245.36 g/mol, XLogP of 2.16, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(2-hydroxyethylamino)undecanoic acid is sourced from PubChem (CID 102119671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).