(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid

C9H15N3O2 — CID 54225588

IUPAC(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cncc1C[C@H](N)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-2-3-12-6-11-5-7(12)4-8(10)9(13)14/h5-6,8H,2-4,10H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyQFPUWKRRYFHMLA-QMMMGPOBSA-N
MW197.24 g/mol
LogP0.25
Rot. Bonds5

About (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid

(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid (PubChem CID 54225588) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
PubChem CID54225588
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid
SMILESCCCn1cncc1C[C@H](N)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-2-3-12-6-11-5-7(12)4-8(10)9(13)14/h5-6,8H,2-4,10H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyQFPUWKRRYFHMLA-QMMMGPOBSA-N
XLogP0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
CID 67703673
3-methyl-1-(3-propylimidazol-4-yl)butan-2-amine
CID 115347460
2-amino-3-(3-methylimidazol-4-yl)propanoic acid;2-methyl-3-(3-methylimidazol-4-yl)propanoic acid
CID 158192593
methyl 2-(aminomethyl)-3-(3-propylimidazol-4-yl)propanoate
CID 66130533
(2S)-2-amino-3-(3-methylsulfonylimidazol-4-yl)propanoic acid
CID 90428299
(2S)-2-amino-3-[3-[(2S)-2-aminopropanoyl]imidazol-4-yl]propanoic acid
CID 69387154
2-amino-3-(3-methylsulfonylimidazol-4-yl)propanoic acid
CID 90428298
3-propylimidazole-4-carboxylic acid
CID 45082087
2-trimethylsilylethyl 2-amino-3-[3-(2-aminoethyl)imidazol-4-yl]propanoate
CID 57253297
(3S)-3-amino-4-(3-methylimidazol-4-yl)butan-2-one
CID 59371796
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-propylimidazol-4-yl)propanoic acid
CID 66132929
2-amino-3-[1-[(3-ethylimidazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 116735130

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid (CID 54225588) is (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid is CCCn1cncc1C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid?
The InChIKey is QFPUWKRRYFHMLA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-12-6-11-5-7(12)4-8(10)9(13)14/h5-6,8H,2-4,10H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid?
(2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-propylimidazol-4-yl)propanoic acid is sourced from PubChem (CID 54225588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).