(2S)-2-amino-N-dodecylpentanediamide

C17H35N3O2 — CID 10519283

IUPAC(2S)-2-amino-N-dodecylpentanediamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C17H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-20-17(22)15(18)12-13-16(19)21/h15H,2-14,18H2,1H3,(H2,19,21)(H,20,22)/t15-/m0/s1
InChIKeySORJFUAWIMPICZ-HNNXBMFYSA-N
MW313.49 g/mol
LogP2.62
Rot. Bonds15

About (2S)-2-amino-N-dodecylpentanediamide

(2S)-2-amino-N-dodecylpentanediamide (PubChem CID 10519283) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is (2S)-2-amino-N-dodecylpentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-dodecylpentanediamide
PubChem CID10519283
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name(2S)-2-amino-N-dodecylpentanediamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C17H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-20-17(22)15(18)12-13-16(19)21/h15H,2-14,18H2,1H3,(H2,19,21)(H,20,22)/t15-/m0/s1
InChIKeySORJFUAWIMPICZ-HNNXBMFYSA-N
XLogP2.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-dodecylpentanediamide?
The IUPAC name of (2S)-2-amino-N-dodecylpentanediamide (CID 10519283) is (2S)-2-amino-N-dodecylpentanediamide.
What is the SMILES notation for (2S)-2-amino-N-dodecylpentanediamide?
The canonical SMILES for (2S)-2-amino-N-dodecylpentanediamide is CCCCCCCCCCCCNC(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of (2S)-2-amino-N-dodecylpentanediamide?
The InChIKey is SORJFUAWIMPICZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-20-17(22)15(18)12-13-16(19)21/h15H,2-14,18H2,1H3,(H2,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-dodecylpentanediamide?
(2S)-2-amino-N-dodecylpentanediamide has a molecular weight of 313.49 g/mol, XLogP of 2.62, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-dodecylpentanediamide is sourced from PubChem (CID 10519283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).