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

C7H13N3 — CID 10447569

IUPAC(2S,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-RITPCOANSA-N
MW139.20 g/mol
LogP0.86
Rot. Bonds2

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

(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine (PubChem CID 10447569) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
PubChem CID10447569
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2S,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-RITPCOANSA-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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Related Compounds

(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
(2S)-3-(1H-imidazol-5-yl)-2-pyrrol-1-ylbutanoic acid
CID 118492450
4-[(1S)-1-(1H-imidazol-5-yl)ethyl]pyridine
CID 129387018
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
(2S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 69387162
ethane;5-(1-phenylethyl)-1H-imidazole
CID 123176556
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
The IUPAC name of (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine (CID 10447569) is (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine.
What is the SMILES notation for (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
The canonical SMILES for (2S,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 (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
The InChIKey is QQTWSOMOTYJIQP-RITPCOANSA-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 (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine?
(2S,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 (2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine is sourced from PubChem (CID 10447569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).