2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide

C12H20N8O4 — CID 162409029

IUPAC2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide
SMILESC[C@H](NC(=O)CNC(=O)CN)c1cn(CC(=O)NCC(N)=O)nn1
InChIInChI=1S/C12H20N8O4/c1-7(17-11(23)4-16-10(22)2-13)8-5-20(19-18-8)6-12(24)15-3-9(14)21/h5,7H,2-4,6,13H2,1H3,(H2,14,21)(H,15,24)(H,16,22)(H,17,23)/t7-/m0/s1
InChIKeyCNEIVJKTKUXHRF-ZETCQYMHSA-N
MW340.34 g/mol
LogP-3.87
Rot. Bonds9

About 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide (PubChem CID 162409029) has the molecular formula C12H20N8O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide
PubChem CID162409029
Molecular FormulaC12H20N8O4
Molecular Weight340.34 g/mol
Exact Mass340.16
IUPAC Name2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide
SMILESC[C@H](NC(=O)CNC(=O)CN)c1cn(CC(=O)NCC(N)=O)nn1
InChIInChI=1S/C12H20N8O4/c1-7(17-11(23)4-16-10(22)2-13)8-5-20(19-18-8)6-12(24)15-3-9(14)21/h5,7H,2-4,6,13H2,1H3,(H2,14,21)(H,15,24)(H,16,22)(H,17,23)/t7-/m0/s1
InChIKeyCNEIVJKTKUXHRF-ZETCQYMHSA-N
XLogP-3.87
TPSA187.12 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-3.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide (CID 162409029) is 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide is C[C@H](NC(=O)CNC(=O)CN)c1cn(CC(=O)NCC(N)=O)nn1.
What is the InChIKey of 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is CNEIVJKTKUXHRF-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H20N8O4/c1-7(17-11(23)4-16-10(22)2-13)8-5-20(19-18-8)6-12(24)15-3-9(14)21/h5,7H,2-4,6,13H2,1H3,(H2,14,21)(H,15,24)(H,16,22)(H,17,23)/t7-/m0/s1.
What are the key properties of 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 340.34 g/mol, XLogP of -3.87, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 162409029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).