1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide

C10H18N4O4 — CID 107852911

IUPAC1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NC(CO)(CO)CO)c1
InChIInChI=1S/C10H18N4O4/c11-1-2-14-3-8(12-7-14)9(18)13-10(4-15,5-16)6-17/h3,7,15-17H,1-2,4-6,11H2,(H,13,18)
InChIKeyXKJZGOWDHRJUQC-UHFFFAOYSA-N
MW258.28 g/mol
LogP-2.71
Rot. Bonds7

About 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide (PubChem CID 107852911) has the molecular formula C10H18N4O4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
PubChem CID107852911
Molecular FormulaC10H18N4O4
Molecular Weight258.28 g/mol
Exact Mass258.13
IUPAC Name1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NC(CO)(CO)CO)c1
InChIInChI=1S/C10H18N4O4/c11-1-2-14-3-8(12-7-14)9(18)13-10(4-15,5-16)6-17/h3,7,15-17H,1-2,4-6,11H2,(H,13,18)
InChIKeyXKJZGOWDHRJUQC-UHFFFAOYSA-N
XLogP-2.71
TPSA133.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-2.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide (CID 107852911) is 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide is NCCn1cnc(C(=O)NC(CO)(CO)CO)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide?
The InChIKey is XKJZGOWDHRJUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4/c11-1-2-14-3-8(12-7-14)9(18)13-10(4-15,5-16)6-17/h3,7,15-17H,1-2,4-6,11H2,(H,13,18).
What are the key properties of 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of -2.71, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 107852911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).