(2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid

C20H35N3O7 — CID 22839510

IUPAC(2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid
SMILESCCOC(=O)[C@@H](C)NC(=O)CNC(=O)C[C@H](CC)CC(C)C(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C20H35N3O7/c1-5-14(9-12(3)16(24)8-7-15(21)19(27)28)10-17(25)22-11-18(26)23-13(4)20(29)30-6-2/h12-15H,5-11,21H2,1-4H3,(H,22,25)(H,23,26)(H,27,28)/t12?,13-,14-,15+/m1/s1
InChIKeyDLAIAHJMTOSWHD-NUDNTCICSA-N
MW429.51 g/mol
LogP0.37
Rot. Bonds15

About (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid

(2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid (PubChem CID 22839510) has the molecular formula C20H35N3O7 and a molecular weight of 429.51 g/mol. Its IUPAC name is (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid.

Molecular Properties

Compound Name(2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid
PubChem CID22839510
Molecular FormulaC20H35N3O7
Molecular Weight429.51 g/mol
Exact Mass429.25
IUPAC Name(2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid
SMILESCCOC(=O)[C@@H](C)NC(=O)CNC(=O)C[C@H](CC)CC(C)C(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C20H35N3O7/c1-5-14(9-12(3)16(24)8-7-15(21)19(27)28)10-17(25)22-11-18(26)23-13(4)20(29)30-6-2/h12-15H,5-11,21H2,1-4H3,(H,22,25)(H,23,26)(H,27,28)/t12?,13-,14-,15+/m1/s1
InChIKeyDLAIAHJMTOSWHD-NUDNTCICSA-N
XLogP0.37
TPSA164.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid?
The IUPAC name of (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid (CID 22839510) is (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid.
What is the SMILES notation for (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid?
The canonical SMILES for (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid is CCOC(=O)[C@@H](C)NC(=O)CNC(=O)C[C@H](CC)CC(C)C(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid?
The InChIKey is DLAIAHJMTOSWHD-NUDNTCICSA-N. The full InChI is InChI=1S/C20H35N3O7/c1-5-14(9-12(3)16(24)8-7-15(21)19(27)28)10-17(25)22-11-18(26)23-13(4)20(29)30-6-2/h12-15H,5-11,21H2,1-4H3,(H,22,25)(H,23,26)(H,27,28)/t12?,13-,14-,15+/m1/s1.
What are the key properties of (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid?
(2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid has a molecular weight of 429.51 g/mol, XLogP of 0.37, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R)-2-amino-10-[[2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-8-ethyl-6-methyl-5,10-dioxodecanoic acid is sourced from PubChem (CID 22839510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).