2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide

C8H17N3O5 — CID 107852760

IUPAC2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H17N3O5/c9-1-6(15)10-2-7(16)11-8(3-12,4-13)5-14/h12-14H,1-5,9H2,(H,10,15)(H,11,16)
InChIKeyMSHQMKMMKXOIIZ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-4.11
Rot. Bonds7

About 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide

2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide (PubChem CID 107852760) has the molecular formula C8H17N3O5 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide
PubChem CID107852760
Molecular FormulaC8H17N3O5
Molecular Weight235.24 g/mol
Exact Mass235.12
IUPAC Name2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C8H17N3O5/c9-1-6(15)10-2-7(16)11-8(3-12,4-13)5-14/h12-14H,1-5,9H2,(H,10,15)(H,11,16)
InChIKeyMSHQMKMMKXOIIZ-UHFFFAOYSA-N
XLogP-4.11
TPSA144.91 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.24
LogP ≤ 5-4.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide (CID 107852760) is 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NC(CO)(CO)CO.
What is the InChIKey of 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is MSHQMKMMKXOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O5/c9-1-6(15)10-2-7(16)11-8(3-12,4-13)5-14/h12-14H,1-5,9H2,(H,10,15)(H,11,16).
What are the key properties of 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 235.24 g/mol, XLogP of -4.11, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 107852760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).