(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide

C8H16N4O — CID 134289439

IUPAC(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1=CNCN1C
InChIInChI=1S/C8H16N4O/c1-6(9)8(13)11-4-7-3-10-5-12(7)2/h3,6,10H,4-5,9H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyBZTXXOSCFSNUEJ-ZCFIWIBFSA-N
MW184.24 g/mol
LogP-1.22
Rot. Bonds3

About (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide

(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide (PubChem CID 134289439) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide
PubChem CID134289439
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1=CNCN1C
InChIInChI=1S/C8H16N4O/c1-6(9)8(13)11-4-7-3-10-5-12(7)2/h3,6,10H,4-5,9H2,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyBZTXXOSCFSNUEJ-ZCFIWIBFSA-N
XLogP-1.22
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide (CID 134289439) is (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide is C[C@@H](N)C(=O)NCC1=CNCN1C.
What is the InChIKey of (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide?
The InChIKey is BZTXXOSCFSNUEJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(9)8(13)11-4-7-3-10-5-12(7)2/h3,6,10H,4-5,9H2,1-2H3,(H,11,13)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide?
(2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide has a molecular weight of 184.24 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]propanamide is sourced from PubChem (CID 134289439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).