(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol

C10H21NO3 — CID 63826961

IUPAC(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCOC1CCCC1
InChIInChI=1S/C10H21NO3/c12-8-9(13)7-11-5-6-14-10-3-1-2-4-10/h9-13H,1-8H2/t9-/m0/s1
InChIKeyJOPYMPHRKZMJLV-VIFPVBQESA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds7

About (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol

(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol (PubChem CID 63826961) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol
PubChem CID63826961
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCCOC1CCCC1
InChIInChI=1S/C10H21NO3/c12-8-9(13)7-11-5-6-14-10-3-1-2-4-10/h9-13H,1-8H2/t9-/m0/s1
InChIKeyJOPYMPHRKZMJLV-VIFPVBQESA-N
XLogP-0.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol 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

1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
2-cyclopentyloxy-N-(2-propan-2-yloxyethyl)ethanamine
CID 63826960
2-(2-cyclohexyloxyethylamino)-1-phenylethanol
CID 55259175
3-(2-cyclohexyloxyethylamino)-2-methylpropanamide
CID 63827162
2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
CID 106237886
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol (CID 63826961) is (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol is OC[C@@H](O)CNCCOC1CCCC1.
What is the InChIKey of (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol?
The InChIKey is JOPYMPHRKZMJLV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO3/c12-8-9(13)7-11-5-6-14-10-3-1-2-4-10/h9-13H,1-8H2/t9-/m0/s1.
What are the key properties of (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol?
(2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol has a molecular weight of 203.28 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-cyclopentyloxyethylamino)propane-1,2-diol is sourced from PubChem (CID 63826961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).