(2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine

C7H13N3 — CID 10374533

IUPAC(2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine
SMILESC[C@@H](N)[C@@H](C)c1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyQQTWSOMOTYJIQP-PHDIDXHHSA-N
MW139.20 g/mol
LogP0.86
Rot. Bonds2

About (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine

(2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine (PubChem CID 10374533) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine
PubChem CID10374533
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine
SMILESC[C@@H](N)[C@@H](C)c1cnc[nH]1
InChIInChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyQQTWSOMOTYJIQP-PHDIDXHHSA-N
XLogP0.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
The IUPAC name of (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine (CID 10374533) is (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine.
What is the SMILES notation for (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
The canonical SMILES for (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine is C[C@@H](N)[C@@H](C)c1cnc[nH]1.
What is the InChIKey of (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
The InChIKey is QQTWSOMOTYJIQP-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
(2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(1H-imidazol-5-yl)butan-2-amine is sourced from PubChem (CID 10374533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).