(2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide

C11H18N4O5 — CID 11437631

IUPAC(2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C11H18N4O5/c1-5(12)10(19)14-7-2-15(4-13-7)11-9(18)8(17)6(3-16)20-11/h2,4-6,8-9,11,16-18H,3,12H2,1H3,(H,14,19)/t5-,6+,8+,9+,11+/m0/s1
InChIKeyHVDIUIFBPHAYSR-DANLAGSESA-N
MW286.29 g/mol
LogP-2.22
Rot. Bonds4

About (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide

(2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide (PubChem CID 11437631) has the molecular formula C11H18N4O5 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide
PubChem CID11437631
Molecular FormulaC11H18N4O5
Molecular Weight286.29 g/mol
Exact Mass286.13
IUPAC Name(2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide
SMILESC[C@H](N)C(=O)Nc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1
InChIInChI=1S/C11H18N4O5/c1-5(12)10(19)14-7-2-15(4-13-7)11-9(18)8(17)6(3-16)20-11/h2,4-6,8-9,11,16-18H,3,12H2,1H3,(H,14,19)/t5-,6+,8+,9+,11+/m0/s1
InChIKeyHVDIUIFBPHAYSR-DANLAGSESA-N
XLogP-2.22
TPSA142.86 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide (CID 11437631) is (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide is C[C@H](N)C(=O)Nc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1.
What is the InChIKey of (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide?
The InChIKey is HVDIUIFBPHAYSR-DANLAGSESA-N. The full InChI is InChI=1S/C11H18N4O5/c1-5(12)10(19)14-7-2-15(4-13-7)11-9(18)8(17)6(3-16)20-11/h2,4-6,8-9,11,16-18H,3,12H2,1H3,(H,14,19)/t5-,6+,8+,9+,11+/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide?
(2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide has a molecular weight of 286.29 g/mol, XLogP of -2.22, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazol-4-yl]propanamide is sourced from PubChem (CID 11437631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).