3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid

C12H17N3O3 — CID 60846258

IUPAC3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCn1ccnc1)C1CC1
InChIInChI=1S/C12H17N3O3/c16-11(3-6-14-8-5-13-9-14)15(10-1-2-10)7-4-12(17)18/h5,8-10H,1-4,6-7H2,(H,17,18)
InChIKeyCXNOAXZZIWNPAW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds7

About 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid

3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid (PubChem CID 60846258) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
PubChem CID60846258
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)CCn1ccnc1)C1CC1
InChIInChI=1S/C12H17N3O3/c16-11(3-6-14-8-5-13-9-14)15(10-1-2-10)7-4-12(17)18/h5,8-10H,1-4,6-7H2,(H,17,18)
InChIKeyCXNOAXZZIWNPAW-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
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CID 119530274
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
N-cyclopropyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106627075
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
3-[N-(3-imidazol-1-ylpropanoyl)anilino]propanoic acid
CID 60830430
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
N,N-bis(2-hydroxyethyl)-3-imidazol-1-ylpropanamide
CID 61235262
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
CID 61021860
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
CID 110127432
3-[acetyl(3-imidazol-1-ylpropyl)amino]propanoic acid
CID 82323160
N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
CID 104957006

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid (CID 60846258) is 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid is O=C(O)CCN(C(=O)CCn1ccnc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid?
The InChIKey is CXNOAXZZIWNPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11(3-6-14-8-5-13-9-14)15(10-1-2-10)7-4-12(17)18/h5,8-10H,1-4,6-7H2,(H,17,18).
What are the key properties of 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid?
3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 60846258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).