(2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid

C14H24N2O6 — CID 54080559

IUPAC(2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid
SMILESCCC(CCCC(=O)NCC(=O)O)C(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C14H24N2O6/c1-2-9(11(17)7-6-10(15)14(21)22)4-3-5-12(18)16-8-13(19)20/h9-10H,2-8,15H2,1H3,(H,16,18)(H,19,20)(H,21,22)/t9?,10-/m0/s1
InChIKeyMMUKWIHQEHZLPN-AXDSSHIGSA-N
MW316.35 g/mol
LogP0.14
Rot. Bonds12

About (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid

(2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid (PubChem CID 54080559) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid
PubChem CID54080559
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid
SMILESCCC(CCCC(=O)NCC(=O)O)C(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C14H24N2O6/c1-2-9(11(17)7-6-10(15)14(21)22)4-3-5-12(18)16-8-13(19)20/h9-10H,2-8,15H2,1H3,(H,16,18)(H,19,20)(H,21,22)/t9?,10-/m0/s1
InChIKeyMMUKWIHQEHZLPN-AXDSSHIGSA-N
XLogP0.14
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid?
The IUPAC name of (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid (CID 54080559) is (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid.
What is the SMILES notation for (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid?
The canonical SMILES for (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid is CCC(CCCC(=O)NCC(=O)O)C(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid?
The InChIKey is MMUKWIHQEHZLPN-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-2-9(11(17)7-6-10(15)14(21)22)4-3-5-12(18)16-8-13(19)20/h9-10H,2-8,15H2,1H3,(H,16,18)(H,19,20)(H,21,22)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid?
(2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid has a molecular weight of 316.35 g/mol, XLogP of 0.14, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-10-(carboxymethylamino)-6-ethyl-5,10-dioxodecanoic acid is sourced from PubChem (CID 54080559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).