(2S)-2,3,6-triamino-8-ethyldecanoic acid

C12H27N3O2 — CID 150447365

IUPAC(2S)-2,3,6-triamino-8-ethyldecanoic acid
SMILESCCC(CC)CC(N)CCC(N)[C@H](N)C(=O)O
InChIInChI=1S/C12H27N3O2/c1-3-8(4-2)7-9(13)5-6-10(14)11(15)12(16)17/h8-11H,3-7,13-15H2,1-2H3,(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyHNAWMMNCCKNUMK-ILDUYXDCSA-N
MW245.37 g/mol
LogP0.66
Rot. Bonds9

About (2S)-2,3,6-triamino-8-ethyldecanoic acid

(2S)-2,3,6-triamino-8-ethyldecanoic acid (PubChem CID 150447365) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is (2S)-2,3,6-triamino-8-ethyldecanoic acid.

Molecular Properties

Compound Name(2S)-2,3,6-triamino-8-ethyldecanoic acid
PubChem CID150447365
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name(2S)-2,3,6-triamino-8-ethyldecanoic acid
SMILESCCC(CC)CC(N)CCC(N)[C@H](N)C(=O)O
InChIInChI=1S/C12H27N3O2/c1-3-8(4-2)7-9(13)5-6-10(14)11(15)12(16)17/h8-11H,3-7,13-15H2,1-2H3,(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyHNAWMMNCCKNUMK-ILDUYXDCSA-N
XLogP0.66
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
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(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
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sodium (2S,3S)-2-amino-3-methylpentanoic acid
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(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
2-amino-3-methylpentanoic acid;azane
CID 87185080
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CID 175109832
2-amino-3-methylpentanoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,6-triamino-8-ethyldecanoic acid?
The IUPAC name of (2S)-2,3,6-triamino-8-ethyldecanoic acid (CID 150447365) is (2S)-2,3,6-triamino-8-ethyldecanoic acid.
What is the SMILES notation for (2S)-2,3,6-triamino-8-ethyldecanoic acid?
The canonical SMILES for (2S)-2,3,6-triamino-8-ethyldecanoic acid is CCC(CC)CC(N)CCC(N)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,3,6-triamino-8-ethyldecanoic acid?
The InChIKey is HNAWMMNCCKNUMK-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-3-8(4-2)7-9(13)5-6-10(14)11(15)12(16)17/h8-11H,3-7,13-15H2,1-2H3,(H,16,17)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2,3,6-triamino-8-ethyldecanoic acid?
(2S)-2,3,6-triamino-8-ethyldecanoic acid has a molecular weight of 245.37 g/mol, XLogP of 0.66, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,6-triamino-8-ethyldecanoic acid is sourced from PubChem (CID 150447365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).