(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide

C14H18N4O2 — CID 146440120

IUPAC(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](N)Cc2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-20-12-4-2-3-10(5-12)7-17-14(19)13(15)6-11-8-16-9-18-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyHEMGJHLVZAYNFJ-CYBMUJFWSA-N
MW274.32 g/mol
LogP0.60
Rot. Bonds6

About (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide

(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 146440120) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID146440120
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)[C@H](N)Cc2cnc[nH]2)c1
InChIInChI=1S/C14H18N4O2/c1-20-12-4-2-3-10(5-12)7-17-14(19)13(15)6-11-8-16-9-18-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,18)(H,17,19)/t13-/m1/s1
InChIKeyHEMGJHLVZAYNFJ-CYBMUJFWSA-N
XLogP0.60
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide (CID 146440120) is (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)[C@H](N)Cc2cnc[nH]2)c1.
What is the InChIKey of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is HEMGJHLVZAYNFJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-12-4-2-3-10(5-12)7-17-14(19)13(15)6-11-8-16-9-18-11/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,18)(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide?
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-imidazol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 146440120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).