ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate

C15H21N3O2 — CID 170885928

IUPACethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/C15H21N3O2/c1-4-20-15(19)11(16)9-14-17-12-7-5-6-8-13(12)18(14)10(2)3/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyYIRQJAMWRWBXBC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds5

About ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate

ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate (PubChem CID 170885928) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
PubChem CID170885928
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
SMILESCCOC(=O)C(N)Cc1nc2ccccc2n1C(C)C
InChIInChI=1S/C15H21N3O2/c1-4-20-15(19)11(16)9-14-17-12-7-5-6-8-13(12)18(14)10(2)3/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyYIRQJAMWRWBXBC-UHFFFAOYSA-N
XLogP2.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
[2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]benzimidazol-1-yl]methylphosphonic acid
CID 10687623
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 81073466
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
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2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate (CID 170885928) is ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate is CCOC(=O)C(N)Cc1nc2ccccc2n1C(C)C.
What is the InChIKey of ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate?
The InChIKey is YIRQJAMWRWBXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-20-15(19)11(16)9-14-17-12-7-5-6-8-13(12)18(14)10(2)3/h5-8,10-11H,4,9,16H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate?
ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate is sourced from PubChem (CID 170885928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).