(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C8H14N4O — CID 18604755

IUPAC(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H14N4O/c1-6(9)8(13)11-3-2-7-4-10-5-12-7/h4-6H,2-3,9H2,1H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyRFIRITGIWTWFTB-LURJTMIESA-N
MW182.23 g/mol
LogP-0.58
Rot. Bonds4

About (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 18604755) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID18604755
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C8H14N4O/c1-6(9)8(13)11-3-2-7-4-10-5-12-7/h4-6H,2-3,9H2,1H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyRFIRITGIWTWFTB-LURJTMIESA-N
XLogP-0.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 18604755) is (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is C[C@H](N)C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is RFIRITGIWTWFTB-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(9)8(13)11-3-2-7-4-10-5-12-7/h4-6H,2-3,9H2,1H3,(H,10,12)(H,11,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 18604755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).