(2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide

C11H23N3O3 — CID 10729057

IUPAC(2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)NCCCCCCO
InChIInChI=1S/C11H23N3O3/c12-9(5-6-10(13)16)11(17)14-7-3-1-2-4-8-15/h9,15H,1-8,12H2,(H2,13,16)(H,14,17)/t9-/m0/s1
InChIKeyRTRYWKWRSBLQOL-VIFPVBQESA-N
MW245.32 g/mol
LogP-0.75
Rot. Bonds10

About (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide

(2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide (PubChem CID 10729057) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide
PubChem CID10729057
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide
SMILESNC(=O)CC[C@H](N)C(=O)NCCCCCCO
InChIInChI=1S/C11H23N3O3/c12-9(5-6-10(13)16)11(17)14-7-3-1-2-4-8-15/h9,15H,1-8,12H2,(H2,13,16)(H,14,17)/t9-/m0/s1
InChIKeyRTRYWKWRSBLQOL-VIFPVBQESA-N
XLogP-0.75
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide?
The IUPAC name of (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide (CID 10729057) is (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide?
The canonical SMILES for (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide is NC(=O)CC[C@H](N)C(=O)NCCCCCCO.
What is the InChIKey of (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide?
The InChIKey is RTRYWKWRSBLQOL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O3/c12-9(5-6-10(13)16)11(17)14-7-3-1-2-4-8-15/h9,15H,1-8,12H2,(H2,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide?
(2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide has a molecular weight of 245.32 g/mol, XLogP of -0.75, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-hydroxyhexyl)pentanediamide is sourced from PubChem (CID 10729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).